numpy<2
rdkit
selfies

[dev]
black
tox
pytest
bump-my-version

[dockstring]
dockstring

[docs]
sphinx
furo

[ehrlich]
pytorch-holo

[ehrlichholo]
pytorch-holo

[foldx]
biopython
python-levenshtein
pdb-tools

[protein]
biopython
python-levenshtein
pdb-tools

[rmf]
scipy

[rosetta_energy]
biopython
pyrosetta

[tdc]
pytdc
