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Dependencies
- accelerate ==1.1.1
- biopython ==1.85
- click ==8.1.8
- deepspeed ==0.16.4
- einops ==0.8.0
- einx ==0.3.0
- ihm ==2.5
- mashumaro ==3.14
- ml-collections ==1.0.0
- modelcif ==1.2
- networkx ==3.4.2
- numba ==0.61.0
- numpy ==1.24.0
- pandas ==2.2.3
- pyyaml ==6.0.2
- rdkit ==2024.3.2
- requests ==2.32.3
- scipy ==1.14.1
- torch ==2.6.0
- torchdiffeq ==0.2.5
- tqdm ==4.67.1