torch>=2.2
numpy==1.26.3
hydra-core==1.3.2
pytorch-lightning==2.4.0
rdkit==2024.3.6
dm-tree==0.1.8
requests==2.32.3
pandas==2.2.3
types-requests
einops==0.8.0
einx==0.3.0
fairscale==0.4.13
mashumaro==3.14
modelcif==1.2
wandb==0.18.7
click==8.1.7
pyyaml==6.0.2
biopython==1.84
scipy==1.13.1

[lint]
ruff
