torch
numpy
tqdm
scipy
omegaconf
huggingface-hub>=1.31.0
rdkit
einops
gemmi
pyyaml
numba
atlasfold>=1.0.2

[cuequiv]
torch>=2.7.0
cuequivariance_torch>=0.6.0
cuequivariance_ops_cu12>=0.6.0
cuequivariance_ops_torch_cu12>=0.6.0

[dev]
pre-commit
pytest

[preprocess]
pdbeccdutils

[train]
lightning
wandb
lmdb
msgpack
zstandard
