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Dependencies
- datasets ==2.11.0
- dgl ==2.4
- diffusers ==0.33.1
- meeko ==0.6.1
- numpy <2,>=1.24
- open-clip-torch <3,>=2.26
- pandas <3,>=2
- polars <2,>=1.34.0
- prody <3,>=2.4
- pyarrow ==11.0.0
- pydantic <3,>=1.10
- pyyaml <7,>=6
- rdkit <2025,>=2023.9.4
- rdkit-stubs <0.9,>=0.6
- torch ==2.3.1
- torchdata <0.9,>=0.7
- torchvision ==0.18.1
- tqdm <5,>=4.66
- transformers >=4.36
- typing-extensions <5,>=4.9