├── .gitattributes ├── .gitignore ├── ADME_example ├── ML_Regression_Comparison.ipynb ├── README.md ├── Sol_results.csv ├── model_building │ ├── 01_process_data.ipynb │ ├── 02_run_benchmark.py │ ├── LICENSE │ ├── README.md │ ├── Sol_results.csv │ ├── chemprop_wrapper.py │ ├── chemprop_wrapper_multitask.py │ ├── example_wrapper.py │ ├── lgbm_wrapper.py │ ├── sol_processed.csv │ └── wrapper_class.md ├── model_comparison.py ├── supplementary_workflows │ ├── ML_Classification_Comparison.ipynb │ ├── ML_Regression_Comparison_nonparametric.ipynb │ ├── README.md │ ├── Sol_classification_ChemProp_LightGBM.csv │ ├── Sol_regression_ChemProp_LightGBM.csv │ ├── alternate_visualizations.ipynb │ └── model_building_class │ │ ├── ADME_public_set_3521.csv │ │ ├── Sol_classification_ChemProp_LightGBM.csv │ │ ├── Sol_classification_preds.csv │ │ ├── build_lightgbm_model.ipynb │ │ ├── collect_chemprop_results.ipynb │ │ ├── data │ │ ├── Sol000 │ │ │ ├── random_mt_test_000.csv │ │ │ ├── random_mt_train_000.csv │ │ │ ├── random_mt_val_000.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_000.csv │ │ │ ├── random_train_000.csv │ │ │ ├── random_val_000.csv │ │ │ ├── scaffold_mt_test_000.csv │ │ │ ├── scaffold_mt_train_000.csv │ │ │ ├── scaffold_mt_val_000.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_000.csv │ │ │ ├── scaffold_train_000.csv │ │ │ └── scaffold_val_000.csv │ │ ├── Sol001 │ │ │ ├── random_mt_test_001.csv │ │ │ ├── random_mt_train_001.csv │ │ │ ├── random_mt_val_001.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_001.csv │ │ │ ├── random_train_001.csv │ │ │ ├── random_val_001.csv │ │ │ ├── scaffold_mt_test_001.csv │ │ │ ├── scaffold_mt_train_001.csv │ │ │ ├── scaffold_mt_val_001.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_001.csv │ │ │ ├── scaffold_train_001.csv │ │ │ └── scaffold_val_001.csv │ │ ├── Sol002 │ │ │ ├── random_mt_test_002.csv │ │ │ ├── random_mt_train_002.csv │ │ │ ├── random_mt_val_002.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_002.csv │ │ │ ├── random_train_002.csv │ │ │ ├── random_val_002.csv │ │ │ ├── scaffold_mt_test_002.csv │ │ │ ├── scaffold_mt_train_002.csv │ │ │ ├── scaffold_mt_val_002.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_002.csv │ │ │ ├── scaffold_train_002.csv │ │ │ └── scaffold_val_002.csv │ │ ├── Sol003 │ │ │ ├── random_mt_test_003.csv │ │ │ ├── random_mt_train_003.csv │ │ │ ├── random_mt_val_003.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_003.csv │ │ │ ├── random_train_003.csv │ │ │ ├── random_val_003.csv │ │ │ ├── scaffold_mt_test_003.csv │ │ │ ├── scaffold_mt_train_003.csv │ │ │ ├── scaffold_mt_val_003.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_003.csv │ │ │ ├── scaffold_train_003.csv │ │ │ └── scaffold_val_003.csv │ │ ├── Sol004 │ │ │ ├── random_mt_test_004.csv │ │ │ ├── random_mt_train_004.csv │ │ │ ├── random_mt_val_004.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_004.csv │ │ │ ├── random_train_004.csv │ │ │ ├── random_val_004.csv │ │ │ ├── scaffold_mt_test_004.csv │ │ │ ├── scaffold_mt_train_004.csv │ │ │ ├── scaffold_mt_val_004.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_004.csv │ │ │ ├── scaffold_train_004.csv │ │ │ └── scaffold_val_004.csv │ │ ├── Sol005 │ │ │ ├── random_mt_test_005.csv │ │ │ ├── random_mt_train_005.csv │ │ │ ├── random_mt_val_005.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_005.csv │ │ │ ├── random_train_005.csv │ │ │ ├── random_val_005.csv │ │ │ ├── scaffold_mt_test_005.csv │ │ │ ├── scaffold_mt_train_005.csv │ │ │ ├── scaffold_mt_val_005.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_005.csv │ │ │ ├── scaffold_train_005.csv │ │ │ └── scaffold_val_005.csv │ │ ├── Sol006 │ │ │ ├── random_mt_test_006.csv │ │ │ ├── random_mt_train_006.csv │ │ │ ├── random_mt_val_006.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_006.csv │ │ │ ├── random_train_006.csv │ │ │ ├── random_val_006.csv │ │ │ ├── scaffold_mt_test_006.csv │ │ │ ├── scaffold_mt_train_006.csv │ │ │ ├── scaffold_mt_val_006.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_006.csv │ │ │ ├── scaffold_train_006.csv │ │ │ └── scaffold_val_006.csv │ │ ├── Sol007 │ │ │ ├── random_mt_test_007.csv │ │ │ ├── random_mt_train_007.csv │ │ │ ├── random_mt_val_007.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_007.csv │ │ │ ├── random_train_007.csv │ │ │ ├── random_val_007.csv │ │ │ ├── scaffold_mt_test_007.csv │ │ │ ├── scaffold_mt_train_007.csv │ │ │ ├── scaffold_mt_val_007.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_007.csv │ │ │ ├── scaffold_train_007.csv │ │ │ └── scaffold_val_007.csv │ │ ├── Sol008 │ │ │ ├── random_mt_test_008.csv │ │ │ ├── random_mt_train_008.csv │ │ │ ├── random_mt_val_008.csv │ │ │ ├── random_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── random_test_008.csv │ │ │ ├── random_train_008.csv │ │ │ ├── random_val_008.csv │ │ │ ├── scaffold_mt_test_008.csv │ │ │ ├── scaffold_mt_train_008.csv │ │ │ ├── scaffold_mt_val_008.csv │ │ │ ├── scaffold_result_MT │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ │ ├── args.json │ │ │ │ ├── fold_0 │ │ │ │ │ ├── model_0 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_1 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_2 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_3 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_4 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_5 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_6 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_7 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_8 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── model_9 │ │ │ │ │ │ └── model.pt │ │ │ │ │ ├── test_preds.csv │ │ │ │ │ └── test_scores.json │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_008.csv │ │ │ ├── scaffold_train_008.csv │ │ │ └── scaffold_val_008.csv │ │ └── Sol009 │ │ │ ├── random_mt_test_009.csv │ │ │ ├── random_mt_train_009.csv │ │ │ ├── random_mt_val_009.csv │ │ │ ├── random_result_MT │ │ │ ├── args.json │ │ │ ├── fold_0 │ │ │ │ ├── model_0 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_1 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_2 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_3 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_4 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_5 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_6 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_7 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_8 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_9 │ │ │ │ │ └── model.pt │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.json │ │ │ ├── test_preds.csv │ │ │ └── test_scores.csv │ │ │ ├── random_result_ST │ │ │ ├── args.json │ │ │ ├── fold_0 │ │ │ │ ├── model_0 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_1 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_2 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_3 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_4 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_5 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_6 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_7 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_8 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_9 │ │ │ │ │ └── model.pt │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.json │ │ │ ├── test_preds.csv │ │ │ └── test_scores.csv │ │ │ ├── random_test_009.csv │ │ │ ├── random_train_009.csv │ │ │ ├── random_val_009.csv │ │ │ ├── scaffold_mt_test_009.csv │ │ │ ├── scaffold_mt_train_009.csv │ │ │ ├── scaffold_mt_val_009.csv │ │ │ ├── scaffold_result_MT │ │ │ ├── args.json │ │ │ ├── fold_0 │ │ │ │ ├── model_0 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_1 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_2 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_3 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_4 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_5 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_6 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_7 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_8 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_9 │ │ │ │ │ └── model.pt │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.json │ │ │ ├── test_preds.csv │ │ │ └── test_scores.csv │ │ │ ├── scaffold_result_ST │ │ │ ├── args.json │ │ │ ├── fold_0 │ │ │ │ ├── model_0 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_1 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_2 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_3 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_4 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_5 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_6 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_7 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_8 │ │ │ │ │ └── model.pt │ │ │ │ ├── model_9 │ │ │ │ │ └── model.pt │ │ │ │ ├── test_preds.csv │ │ │ │ └── test_scores.json │ │ │ ├── test_preds.csv │ │ │ └── test_scores.csv │ │ │ ├── scaffold_test_009.csv │ │ │ ├── scaffold_train_009.csv │ │ │ └── scaffold_val_009.csv │ │ ├── generate_validation_data.ipynb │ │ ├── helper.py │ │ ├── lgbm_result.csv │ │ ├── lightgbm_classifciation_results.csv │ │ └── run_chemprop_sol.py ├── tests │ ├── scaffold_split_metrics.csv │ ├── tukey_hsd_test.html │ ├── tukey_hsd_test.ipynb │ ├── tukey_hsd_test.pdf │ └── tukey_hsd_test.rmd └── visual-abstract.jpg ├── Dynamic_Range_example └── Delaney_Solubility.ipynb ├── LICENSE ├── README.md ├── repeated_cv_simulation ├── MTL_2_input_BSEP_herg_BBB_PDK_HIV_w_FP.csv ├── README.md ├── results_coverage_probability.rds ├── results_interval_comparison.rds ├── simulation_experiment.Rmd ├── simulation_results.Rmd ├── simulation_results.html ├── simulation_results.pdf ├── simulation_results_cache │ ├── html │ │ ├── __packages │ │ ├── unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.RData │ │ ├── unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.rdb │ │ ├── unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.rdx │ │ ├── unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.RData │ │ ├── unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdb │ │ ├── unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdx │ │ ├── unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.RData │ │ ├── unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdb │ │ ├── unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdx │ │ ├── unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.RData │ │ ├── unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.rdb │ │ ├── unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.rdx │ │ ├── unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.RData │ │ ├── unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.rdb │ │ ├── unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.rdx │ │ ├── unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.RData │ │ ├── unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.rdb │ │ ├── unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.rdx │ │ ├── unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.RData │ │ ├── unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.rdb │ │ ├── unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.rdx │ │ ├── unnamed-chunk-7_009c8922a27098c4a1949117fa457995.RData │ │ ├── unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdb │ │ ├── unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdx │ │ ├── unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.RData │ │ ├── unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdb │ │ ├── unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdx │ │ ├── unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.RData │ │ ├── unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.rdb │ │ └── unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.rdx │ └── latex │ │ ├── __packages │ │ ├── unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.RData │ │ ├── unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.rdb │ │ ├── unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.rdx │ │ ├── unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.RData │ │ ├── unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdb │ │ ├── unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdx │ │ ├── unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.RData │ │ ├── unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdb │ │ ├── unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdx │ │ ├── unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.RData │ │ ├── unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.rdb │ │ ├── unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.rdx │ │ ├── unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.RData │ │ ├── unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.rdb │ │ ├── unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.rdx │ │ ├── unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.RData │ │ ├── unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.rdb │ │ ├── unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.rdx │ │ ├── unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.RData │ │ ├── unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.rdb │ │ ├── unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.rdx │ │ ├── unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.RData │ │ ├── unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdb │ │ ├── unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdx │ │ ├── unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.RData │ │ ├── unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdb │ │ ├── unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdx │ │ ├── unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.RData │ │ ├── unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.rdb │ │ └── unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.rdx └── simulation_results_files │ ├── figure-html │ ├── unnamed-chunk-10-1.png │ ├── unnamed-chunk-3-1.png │ ├── unnamed-chunk-4-1.png │ ├── unnamed-chunk-5-1.png │ ├── unnamed-chunk-6-1.png │ ├── unnamed-chunk-7-1.png │ └── unnamed-chunk-9-1.png │ └── figure-latex │ ├── unnamed-chunk-10-1.pdf │ ├── unnamed-chunk-3-1.pdf │ ├── unnamed-chunk-4-1.pdf │ ├── unnamed-chunk-5-1.pdf │ ├── unnamed-chunk-6-1.pdf │ ├── unnamed-chunk-7-1.pdf │ └── unnamed-chunk-9-1.pdf └── requirements.txt /.gitattributes: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/.gitattributes -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/.gitignore -------------------------------------------------------------------------------- /ADME_example/ML_Regression_Comparison.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/ML_Regression_Comparison.ipynb -------------------------------------------------------------------------------- /ADME_example/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/README.md -------------------------------------------------------------------------------- /ADME_example/Sol_results.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/Sol_results.csv -------------------------------------------------------------------------------- /ADME_example/model_building/01_process_data.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/01_process_data.ipynb -------------------------------------------------------------------------------- /ADME_example/model_building/02_run_benchmark.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/02_run_benchmark.py -------------------------------------------------------------------------------- /ADME_example/model_building/LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/LICENSE -------------------------------------------------------------------------------- /ADME_example/model_building/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/README.md -------------------------------------------------------------------------------- /ADME_example/model_building/Sol_results.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/Sol_results.csv -------------------------------------------------------------------------------- /ADME_example/model_building/chemprop_wrapper.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/chemprop_wrapper.py -------------------------------------------------------------------------------- /ADME_example/model_building/chemprop_wrapper_multitask.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/chemprop_wrapper_multitask.py -------------------------------------------------------------------------------- /ADME_example/model_building/example_wrapper.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/example_wrapper.py -------------------------------------------------------------------------------- /ADME_example/model_building/lgbm_wrapper.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/lgbm_wrapper.py -------------------------------------------------------------------------------- /ADME_example/model_building/sol_processed.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/sol_processed.csv -------------------------------------------------------------------------------- /ADME_example/model_building/wrapper_class.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_building/wrapper_class.md -------------------------------------------------------------------------------- /ADME_example/model_comparison.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/model_comparison.py -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/ML_Classification_Comparison.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/ML_Classification_Comparison.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/ML_Regression_Comparison_nonparametric.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/ML_Regression_Comparison_nonparametric.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/README.md -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/Sol_classification_ChemProp_LightGBM.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/Sol_classification_ChemProp_LightGBM.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/Sol_regression_ChemProp_LightGBM.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/Sol_regression_ChemProp_LightGBM.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/alternate_visualizations.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/alternate_visualizations.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/ADME_public_set_3521.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/ADME_public_set_3521.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/Sol_classification_ChemProp_LightGBM.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/Sol_classification_ChemProp_LightGBM.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/Sol_classification_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/Sol_classification_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/build_lightgbm_model.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/build_lightgbm_model.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/collect_chemprop_results.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/collect_chemprop_results.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_test_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_test_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_train_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_train_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_val_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_mt_val_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_test_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_test_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_train_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_train_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_val_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/random_val_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_test_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_test_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_train_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_train_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_val_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_mt_val_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_test_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_test_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_train_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_train_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_val_000.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol000/scaffold_val_000.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_test_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_test_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_train_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_train_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_val_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_mt_val_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_test_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_test_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_train_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_train_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_val_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/random_val_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_test_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_test_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_train_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_train_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_val_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_mt_val_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_test_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_test_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_train_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_train_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_val_001.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol001/scaffold_val_001.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_test_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_test_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_train_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_train_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_val_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_mt_val_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_test_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_test_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_train_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_train_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_val_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/random_val_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_test_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_test_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_train_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_train_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_val_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_mt_val_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_test_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_test_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_train_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_train_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_val_002.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol002/scaffold_val_002.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_test_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_test_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_train_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_train_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_val_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_mt_val_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_test_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_test_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_train_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_train_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_val_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/random_val_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_test_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_test_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_train_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_train_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_val_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_mt_val_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_test_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_test_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_train_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_train_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_val_003.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol003/scaffold_val_003.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_test_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_test_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_train_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_train_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_val_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_mt_val_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_test_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_test_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_train_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_train_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_val_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/random_val_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_test_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_test_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_train_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_train_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_val_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_mt_val_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_test_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_test_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_train_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_train_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_val_004.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol004/scaffold_val_004.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_test_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_test_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_train_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_train_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_val_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_mt_val_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_test_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_test_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_train_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_train_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_val_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/random_val_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_test_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_test_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_train_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_train_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_val_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_mt_val_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_test_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_test_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_train_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_train_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_val_005.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol005/scaffold_val_005.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_test_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_test_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_train_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_train_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_val_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_mt_val_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_test_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_test_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_train_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_train_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_val_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/random_val_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_test_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_test_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_train_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_train_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_val_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_mt_val_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_test_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_test_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_train_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_train_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_val_006.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol006/scaffold_val_006.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_test_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_test_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_train_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_train_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_val_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_mt_val_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_6/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_6/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_7/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_7/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_8/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_8/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_9/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/model_9/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/test_scores.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/fold_0/test_scores.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_test_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_test_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_train_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_train_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_val_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/random_val_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_test_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_test_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_train_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_train_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_val_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_mt_val_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/fold_0/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/fold_0/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_test_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_test_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_train_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_train_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_val_007.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol007/scaffold_val_007.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_test_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_test_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_train_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_train_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_val_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_mt_val_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_0/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_0/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_1/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_1/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_2/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_2/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_3/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_3/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_4/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_4/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_5/model.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/fold_0/model_5/model.pt -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_test_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_test_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_train_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_train_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_val_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/random_val_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_test_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_test_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_train_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_train_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_val_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_mt_val_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_test_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_test_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_train_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_train_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_val_008.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol008/scaffold_val_008.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_test_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_test_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_train_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_train_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_val_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_mt_val_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_test_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_test_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_train_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_train_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_val_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/random_val_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_test_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_test_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_train_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_train_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_val_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_mt_val_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_MT/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/args.json: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/args.json -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/test_preds.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/test_preds.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/test_scores.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_result_ST/test_scores.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_test_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_test_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_train_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_train_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_val_009.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/data/Sol009/scaffold_val_009.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/generate_validation_data.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/generate_validation_data.ipynb -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/helper.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/helper.py -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/lgbm_result.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/lgbm_result.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/lightgbm_classifciation_results.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/lightgbm_classifciation_results.csv -------------------------------------------------------------------------------- /ADME_example/supplementary_workflows/model_building_class/run_chemprop_sol.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/supplementary_workflows/model_building_class/run_chemprop_sol.py -------------------------------------------------------------------------------- /ADME_example/tests/scaffold_split_metrics.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/tests/scaffold_split_metrics.csv -------------------------------------------------------------------------------- /ADME_example/tests/tukey_hsd_test.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/tests/tukey_hsd_test.html -------------------------------------------------------------------------------- /ADME_example/tests/tukey_hsd_test.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/tests/tukey_hsd_test.ipynb -------------------------------------------------------------------------------- /ADME_example/tests/tukey_hsd_test.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/tests/tukey_hsd_test.pdf -------------------------------------------------------------------------------- /ADME_example/tests/tukey_hsd_test.rmd: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/tests/tukey_hsd_test.rmd -------------------------------------------------------------------------------- /ADME_example/visual-abstract.jpg: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/ADME_example/visual-abstract.jpg -------------------------------------------------------------------------------- /Dynamic_Range_example/Delaney_Solubility.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/Dynamic_Range_example/Delaney_Solubility.ipynb -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/README.md -------------------------------------------------------------------------------- /repeated_cv_simulation/MTL_2_input_BSEP_herg_BBB_PDK_HIV_w_FP.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/MTL_2_input_BSEP_herg_BBB_PDK_HIV_w_FP.csv -------------------------------------------------------------------------------- /repeated_cv_simulation/README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/README.md -------------------------------------------------------------------------------- /repeated_cv_simulation/results_coverage_probability.rds: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/results_coverage_probability.rds -------------------------------------------------------------------------------- /repeated_cv_simulation/results_interval_comparison.rds: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/results_interval_comparison.rds -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_experiment.Rmd: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_experiment.Rmd -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results.Rmd: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results.Rmd -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results.html: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results.html -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/__packages: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/__packages -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-10_25744c809c43615f5a3cac917ad8b6a8.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-1_e5e8e7af2d562ed4c403b2508d461a4b.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-2_c4a60ebc1fbfa28ce4eb97c2e0ef0826.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-3_5f056256bbab93c6676f312f039a56f2.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-4_0b2527c43bd993348bcb9ef03c55bfdf.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-5_20546e52206f397dcace6b522a3d7e01.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-6_aba33ddb9ae620ae2120b5ce8d8635fd.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-7_009c8922a27098c4a1949117fa457995.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-8_9a0b1d1fc4c02331be9ae52ba8b3ffc4.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.RData: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.RData -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/html/unnamed-chunk-9_6b22d570b93c33a6bf8914c8dea2d120.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/__packages: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/__packages -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-10_a09b7f362020a1013a81c1d6ec2d8e0f.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-1_75a9d50295f72c8f0a50779a887d7c97.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-2_0ad5c07b39c37151e906a14f8a2dfc0c.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-3_32a76288c1371e1b24c2b25155cf9d5c.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-4_8f9883a46814f54cde770d6a402a513c.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-5_5158eb1a2f37d9cd65ec0e2149d32d0a.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-6_d424081b02c1a719cbef5742a6bcd8d3.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-7_3d2d6a4c2c876e90e265b49802f578a7.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdb -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-8_63e035f6920d5c0a8197cc556b3e5a15.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.rdb: -------------------------------------------------------------------------------- 1 | -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.rdx: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_cache/latex/unnamed-chunk-9_220d26fa0885854471b9be463c34e8f1.rdx -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-10-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-10-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-3-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-3-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-4-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-4-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-5-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-5-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-6-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-6-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-7-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-7-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-9-1.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-html/unnamed-chunk-9-1.png -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-10-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-10-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-3-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-3-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-4-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-4-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-5-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-5-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-6-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-6-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-7-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-7-1.pdf -------------------------------------------------------------------------------- /repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-9-1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/repeated_cv_simulation/simulation_results_files/figure-latex/unnamed-chunk-9-1.pdf -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/polaris-hub/polaris-method-comparison/HEAD/requirements.txt --------------------------------------------------------------------------------