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Dependencies
- adam-atan2-pytorch >=0.0.8
- awscliv2 >=2.3.1
- beartype
- biopython >=1.83
- click >=8.1
- colt5-attention >=0.11.0
- deepspeed ==0.15.1
- einops >=0.8.0
- einx >=0.2.2
- environs
- fair-esm
- fastapi
- frame-averaging-pytorch >=0.0.18
- gemmi >=0.6.6
- gradio
- gradio-molecule3d
- huggingface-hub >=0.21.4
- hydra-colorlog ==1.2.0
- hydra-core ==1.3.2
- hydra-optuna-sweeper ==1.2.0
- ipykernel
- jaxtyping >=0.2.28
- joblib
- lightning >=2.4.0
- lion-pytorch >=0.2.2
- loguru
- multimolecule
- numpy ==1.23.5
- omegaconf
- pandas >=1.5.3
- pdbeccdutils ==0.8.5
- polars >=1.6.0
- pre-commit
- pydantic >=2.8.2
- pytest
- pyyaml
- rdkit >=2024.3.5
- retrying
- rich
- rootutils
- scikit-learn >=1.5.0
- scipy ==1.13.1
- sentencepiece
- setuptools
- sh >=2.0.7
- shortuuid
- taylor-series-linear-attention >=0.1.12
- timeout-decorator >=0.5.0
- torch ==2.3.1
- torch-geometric
- torchmetrics >=1.4.1
- torchtyping >=0.1.5
- torchvision >=0.15.0
- tqdm
- transformers
- wandb >=0.18.0
2 optional dependencies
- pytest[test]
- pytest-shard[test]