gemmi==0.6.5
torch>=2.4.1
scikit-learn
numpy
hydra-core
edit_distance
pytorch-lightning
gdown
rdkit
dm-tree
requests
pandas
rna-tools
types-requests
wandb
pdbeccdutils
einx
redis
fairscale
einops
mashumaro
modelcif
mdtraj
h5py
moldf
numba==0.61.0
trifast>=0.1.11

[build]

[dev]
tox
foldeverything[lint]
foldeverything[test]
foldeverything[doc]
foldeverything[build]

[doc]

[lint]
ruff

[test]
