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Dependencies
- biopandas
- biopython
- dm-tree
- e3nn
- einops ==0.8.0
- ml-collections
- modelcif ==1.0
- networkx
- omegaconf
- pandas ==2.0.0
- prody ==2.4.1
- prolif ==2.0.3
- py3dmol ==2.1.0
- pybel ==0.15.5
- pyyaml
- rdkit ==2023.9.6
- rdkit-pypi
- scipy
- seaborn
- spyrmsd
- torch ==2.3.0
- torchaudio ==2.3.0
- torch-geometric ==2.5.3
- torchvision ==0.18.0