├── .gitignore ├── LICENSE ├── README.md ├── data ├── test_pdb_ids ├── train_pdb_ids └── val_pdb_ids ├── dpl ├── __init__.py ├── data.py ├── features.py ├── model.py ├── modules.py ├── mol.py ├── protein.py ├── tmalign.py └── utils.py ├── environment.yml ├── generate.py ├── preprocess_pdbbind.py ├── pyproject.toml ├── setup.cfg └── train.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/shuyana/DiffusionProteinLigand/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/shuyana/DiffusionProteinLigand/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 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