├── MolT5-Small_cap2smi_submit.zip ├── MolT5-Small_smi2cap_submit.zip ├── README.md ├── additional_data.zip ├── data.zip ├── evaluation ├── README.md ├── __init__.py ├── caption2smiles_example.txt ├── create_heldout_file.py ├── environment_eval.yml ├── fcd_metric.py ├── features.py ├── fingerprint_metrics.py ├── m2v.sh ├── m2v_model.pkl ├── mol_text2mol_metric.py ├── mol_text2mol_metric.sh ├── mol_text2mol_metric_gt.sh ├── mol_translation_metrics.py ├── smiles2caption_example.txt ├── t2m_output │ └── .gitignore ├── text2mol │ ├── README.md │ └── code │ │ ├── __pycache__ │ │ └── models.cpython-39.pyc │ │ ├── models.py │ │ └── test_example.py ├── text_property_combo_metrics.py ├── text_property_metrics.py ├── text_text2mol_metric.py ├── text_text2mol_metric.sh ├── text_text2mol_metric_gt.sh ├── text_translation_metrics.py └── write_sdf.py ├── final_evaluation ├── README.md ├── captioning │ ├── combine_eval.py │ ├── eval-text.txt │ ├── extract_gt.py │ ├── extract_props.py │ ├── mystery_molecules_ensemble.txt │ ├── mystery_mols.txt │ ├── nested_props.json │ ├── print_csv.py │ ├── print_rel_props.py │ ├── prop_files.zip │ ├── run.sh │ ├── scorer.py │ ├── scorer_props.py │ ├── scores │ │ ├── avaliev.json │ │ ├── bluesky333.json │ │ ├── danielshao.json │ │ ├── dimitris.json │ │ ├── duongttr.json │ │ ├── guiyike.json │ │ ├── hecao.json │ │ ├── langmolecules_Meditron.json │ │ ├── langmolecules_MolT5-Base.json │ │ ├── langmolecules_MolT5-Large.json │ │ ├── langmolecules_MolT5-Small.json │ │ ├── mengmeng.json │ │ ├── peiqz.json │ │ ├── protonunfold.json │ │ ├── qizhipei.json │ │ ├── shinnosuke_Ensembled.json │ │ ├── shinnosuke_Rank_model_1.json │ │ ├── xwk89_mistral_4b9_e1.json │ │ ├── xwk89_mistral_e1.json │ │ └── xygui.json │ ├── scores_props │ │ ├── avaliev.json │ │ ├── bluesky333.json │ │ ├── danielshao.json │ │ ├── dimitris.json │ │ ├── duongttr.json │ │ ├── guiyike.json │ │ ├── hecao.json │ │ ├── langmolecules_Meditron.json │ │ ├── langmolecules_MolT5-Base.json │ │ ├── langmolecules_MolT5-Large.json │ │ ├── langmolecules_MolT5-Small.json │ │ ├── mengmeng.json │ │ ├── peiqz.json │ │ ├── protonunfold.json │ │ ├── qizhipei.json │ │ ├── shinnosuke_Ensembled.json │ │ ├── shinnosuke_Rank_model_1.json │ │ ├── test.json │ │ ├── xwk89_mistral_4b9_e1.json │ │ ├── xwk89_mistral_e1.json │ │ └── xygui.json │ ├── submissions │ │ ├── avaliev.zip │ │ ├── bluesky333.zip │ │ ├── danielshao.zip │ │ ├── dimitris.zip │ │ ├── duongttr.zip │ │ ├── guiyike.zip │ │ ├── hecao.zip │ │ ├── langmolecules_Meditron.zip │ │ ├── langmolecules_MolT5-Base.zip │ │ ├── langmolecules_MolT5-Large.zip │ │ ├── langmolecules_MolT5-Small.zip │ │ ├── mengmeng.zip │ │ ├── peiqz.zip │ │ ├── protonunfold.zip │ │ ├── qizhipei.zip │ │ ├── shinnosuke_Ensembled.zip │ │ ├── shinnosuke_Rank_model_1.zip │ │ ├── test.zip │ │ ├── xwk89_mistral_4b9_e1.zip │ │ ├── xwk89_mistral_e1.zip │ │ └── xygui.zip │ ├── submit_example.txt │ ├── test │ │ ├── submit.txt │ │ └── test.zip │ └── withheld_combos.txt └── molgen │ ├── combine_eval.py │ ├── eval-molgen.txt │ ├── print_csv.py │ ├── run.sh │ ├── scorer.py │ ├── scorer_combos.py │ ├── scores │ ├── avaliev.json │ ├── danielshao.json │ ├── dimitris.json │ ├── erikxiong.json │ ├── guiyike.json │ ├── hecao_bioagent.json │ ├── hecao_bioagent_epoch5.json │ ├── langmolecules_Meditron.json │ ├── langmolecules_MolT5-Base.json │ ├── langmolecules_MolT5-Large.json │ ├── langmolecules_MolT5-Small.json │ ├── mengmeng.json │ ├── ndhieunguyen.json │ ├── peiqz.json │ ├── protonunfold.json │ └── qizhipei.json │ ├── scores_combo │ ├── avaliev.json │ ├── danielshao.json │ ├── dimitris.json │ ├── erikxiong.json │ ├── guiyike.json │ ├── hecao_bioagent.json │ ├── hecao_bioagent_epoch5.json │ ├── langmolecules_Meditron.json │ ├── langmolecules_MolT5-Base.json │ ├── langmolecules_MolT5-Large.json │ ├── langmolecules_MolT5-Small.json │ ├── mengmeng.json │ ├── ndhieunguyen.json │ ├── peiqz.json │ ├── protonunfold.json │ └── qizhipei.json │ ├── submissions │ ├── avaliev.zip │ ├── danielshao.zip │ ├── dimitris.zip │ ├── erikxiong.zip │ ├── guiyike.zip │ ├── hecao_bioagent.zip │ ├── hecao_bioagent_epoch5.zip │ ├── langmolecules_Meditron.zip │ ├── langmolecules_MolT5-Base.zip │ ├── langmolecules_MolT5-Large.zip │ ├── langmolecules_MolT5-Small.zip │ ├── mengmeng.zip │ ├── ndhieunguyen.zip │ ├── peiqz.zip │ ├── protonunfold.zip │ └── qizhipei.zip │ └── withheld_combos.txt ├── nested_props.json └── shared_task.pdf /MolT5-Small_cap2smi_submit.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/language-plus-molecules/LPM-24-Dataset/HEAD/MolT5-Small_cap2smi_submit.zip -------------------------------------------------------------------------------- /MolT5-Small_smi2cap_submit.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/language-plus-molecules/LPM-24-Dataset/HEAD/MolT5-Small_smi2cap_submit.zip 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