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Dependencies
- adam-atan2-pytorch >=0.1.12
- awscliv2 >=2.3.1
- beartype
- biopython >=1.83
- cachetools
- click >=8.1
- colt5-attention >=0.11.0
- einops >=0.8.0
- einx >=0.2.2
- ema-pytorch >=0.7.0
- environs
- fair-esm
- fastapi
- frame-averaging-pytorch >=0.0.18
- gemmi >=0.6.6
- gradio
- gradio-molecule3d
- huggingface-hub >=0.21.4
- hyper-connections >=0.0.23
- jaxtyping >=0.2.28
- joblib
- lightning >=2.2.5
- lion-pytorch >=0.2.2
- loguru
- multimolecule ==0.0.5
- nimporter
- numpy >=1.23.5
- pdbeccdutils >=0.8.5
- polars >=1.1.0
- pydantic >=2.8.2
- pyyaml
- rdkit >=2023.9.6
- retrying
- scikit-learn >=1.5.0
- scipy ==1.13.1
- sentencepiece
- sh >=2.0.7
- shortuuid
- taylor-series-linear-attention >=0.1.12
- tensorboard
- timeout-decorator >=0.5.0
- torch >=2.1
- torch-geometric
- torchtyping >=0.1.5
- tqdm >=4.66.4
- transformers
3 optional dependencies
- pytest[test]
- pytest-shard[test]
- ruff[test]