click<9,>=8.3.2
eosframes==1.2.0
FPSim2==0.7.4
rdkit==2026.3.1
loguru<1,>=0.7.3
numpy<3,>=2.4.4
packaging>=26.0
pandas<4,>=3.0.2
psutil<8,>=7.2.2
rich<16,>=15.0.0
scikit-learn<2,>=1.8.0
scipy<2,>=1.17.1
threadpoolctl<4,>=3.6.0

[dev]
pre-commit==4.3.0
pytest==9.0.3
ruff==0.15.11

[viz]
stylia==1.0.1
