rdkit
numpy<2.0.0,>=1.0.0
pandas==2.2.3
tqdm~=4.66.4
scipy~=1.14.0
biopython~=1.84
viennarna~=2.6.4
rdkit==2024.3.5
torch==2.3.1

[cuda]
torch==2.3.1+cu118

[test]
pytest==7.3.2
pytest-cov==5.0.0
pytest-mock==3.14.0
pytest-md==0.2.0
