├── .gitignore ├── LASSO_coefficients ├── LASSO_ROBIN_RNA_vs_FDA_5_most_negative_coefficients.csv ├── LASSO_ROBIN_RNA_vs_FDA_5_most_positive_coefficients.csv ├── LASSO_all_nonzero_coefficients_FDA_vs_ROBIN_RNA.csv ├── LASSO_all_nonzero_features_Augmented_ROBIN_RNA_vs_BindingDB.csv └── LASSO_all_nonzero_features_ROBIN_RNA_vs_BindingDB.csv ├── LICENSE ├── MLP_saved_model ├── saved_model.pb └── variables │ ├── variables.data-00000-of-00001 │ └── variables.index ├── ML_CSVs ├── README.md ├── ROBIN_Plus_Dictionary.csv ├── df_all_3_feature_medians.csv └── scaler.pkl ├── README.md ├── SMM_full_results ├── SMM_Biomolecule_Hits.csv ├── SMM_Sequence_Table_hit_rates.csv ├── SMM_Target_Hits.csv └── SMM_Zscore_CV.csv ├── Substructure_searching └── Substructures_smiles.csv ├── TMAP ├── ROBIN_RNA_vs_FDA_vs_BindingDB_TMAP_BOLD.html ├── ROBIN_RNA_vs_FDA_vs_BindingDB_TMAP_BOLD.js ├── ROBIN_RNA_vs_FDA_vs_BindingDB_TMAP_normal.html ├── ROBIN_RNA_vs_FDA_vs_BindingDB_TMAP_normal.js └── TMAP.png ├── data └── README.md ├── figures ├── LASSO_frequency_distribution_ROBIN_RNA_vs_FDA.png ├── Lipinski_KDE_distribution_ROBIN_RNA_vs_FDA.png ├── PRC_Augmented_ROBIN_RNA_vs_BindingDB_LR.png ├── PRC_Augmented_ROBIN_RNA_vs_BindingDB_MLP.png ├── PRC_ROBIN_RNA_vs_BindingDB.png ├── ROBIN_Gini_histogram.png ├── ROC_ROBIN_RNA_vs_FDA.png ├── SHAP_Barplot.png └── SHAP_Beeswarm_plot.png └── notebooks ├── MLP_Model_Run.ipynb ├── ML_Models_ROBIN_RNA_vs_BindingDB.ipynb └── ML_Models_ROBIN_RNA_vs_FDA.ipynb /.gitignore: -------------------------------------------------------------------------------- 1 | .DS_Store 2 | -------------------------------------------------------------------------------- /LASSO_coefficients/LASSO_ROBIN_RNA_vs_FDA_5_most_negative_coefficients.csv: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ky66/ROBIN/HEAD/LASSO_coefficients/LASSO_ROBIN_RNA_vs_FDA_5_most_negative_coefficients.csv 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