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Dependencies
- fair-esm
- fancy-aggregations
- filelock ==3.13.1
- h5py ==3.7.0
- k3d ==2.15.2
- matplotlib ==3.8.3
- numba ==0.56.4
- numpy ==1.23.5
- pandas ==1.4.4
- pip ==24.0
- prody ==2.4.1
- protobuf ==3.20.3
- py3dmol ==2.4.0
- pytorch-lightning ==1.4.9
- rdkit ==2024.3.1
- regex
- sacremoses ==0.0.53
- scikit-learn ==1.5.1
- scipy ==1.11.4
- sentencepiece ==0.2.0
- setuptools <80.9,>=71.0.2
- tokenizers ==0.20.0
- torch ==1.11.0
- torchaudio ==0.11.0
- torch-geometric
- torchinfo ==1.8.0
- torchmetrics ==0.7.3
- torchvision ==0.12.0
- wandb ==0.15.8
- wget