├── .gitignore ├── ESPF ├── drug_codes_chembl.txt ├── protein_codes_uniprot.txt ├── subword_units_map_chembl.csv └── subword_units_map_uniprot.csv ├── LICENSE ├── README.md ├── config.py ├── dataset ├── .DS_Store ├── BIOSNAP │ ├── .DS_Store │ ├── full_data │ │ ├── test.csv │ │ ├── train.csv │ │ └── val.csv │ ├── missing_data │ │ ├── 70 │ │ │ ├── test.csv │ │ │ ├── train.csv │ │ │ └── val.csv │ │ ├── 80 │ │ │ ├── test.csv │ │ │ ├── train.csv │ │ │ └── val.csv │ │ ├── 90 │ │ │ ├── test.csv │ │ │ ├── train.csv │ │ │ └── val.csv │ │ ├── 95 │ │ │ ├── test.csv │ │ │ ├── train.csv │ │ │ └── val.csv │ │ └── .DS_Store │ ├── unseen_drug │ │ ├── test.csv │ │ ├── train.csv │ │ └── val.csv │ └── unseen_protein │ │ ├── test.csv │ │ ├── train.csv │ │ └── val.csv ├── BindingDB │ ├── .DS_Store │ ├── test.csv │ ├── train.csv │ └── val.csv └── DAVIS │ ├── test.csv │ ├── train.csv │ └── val.csv ├── example.ipynb ├── models.py ├── requirements.txt ├── setup.py ├── stream.py └── train.py /.gitignore: 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