jax
polars>=1.36.1
pulp>=3.3.0
scikit-learn>=1.7.2

[chem]
rdkit>=2025.3.6
rich>=14.2.0
bblean>=0.8.1

[cuda13]
jax[cuda13]

[dev]
nanoom[chem]
nanoom[cuda13]
pytest
ruff

[tutorial]
marimo
