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Dependencies
- biopython ==1.85
- biotite ==1.4.0
- cuequivariance-ops-torch-cu12 ==0.8.0
- cuequivariance-torch ==0.8.0
- deepspeed ==0.17.5
- fair-esm ==2.0.0
- gemmi ==0.6.7
- icecream ==2.1.7
- ipdb ==0.13.13
- ipywidgets ==8.1.7
- matplotlib ==3.10.5
- ml-collections ==1.1.0
- modelcif ==1.4
- networkx >=3.4.2
- numpy ==2.4.1
- optree ==0.17.0
- pandas ==2.3.1
- pdbeccdutils ==1.0.0
- protobuf ==6.31.1
- py3dmol ==2.5.2
- pydantic >=2.0.0
- pyyaml ==6.0.2
- rdkit ==2025.9.3
- scikit-learn ==1.7.1
- scikit-learn-extra ==0.3.0
- scipy >=1.9.0
- torch ==2.7.1
- torchaudio ==2.7.1
- torchvision ==0.22.1
- tqdm ==4.67.1
- triton ==3.3.1
- wandb ==0.21.1