torch==2.7.1
click>=8.1.0
scipy>=1.9.0
ml_collections==1.1.0
tqdm==4.67.1
pandas==2.3.1
rdkit==2025.9.3
biopython==1.85
biotite==1.4.0
scikit-learn==1.7.1
pydantic>=2.0.0
optree==0.17.0
numpy==2.4.1
networkx>=3.4.2
packaging>=23.2
requests>=2.31.0

[cpu]

[gpu]

[gpu:platform_system == "Linux" and platform_machine == "x86_64"]
cuequivariance==0.8.0
cuequivariance-ops-torch-cu12==0.8.0
cuequivariance-torch==0.8.0
