joblib>=1.4.2
numpy>=1.26.4
rdkit>=2023.9.6
scikit-learn>=1.5.0
scikit-learn-extra>=0.3.0
scipy>=1.13.1
typing_extensions>=4.12.1
umap-learn>=0.5.6

[dev]
coverage>=7.5.3
ipykernel>=6.29.4
matplotlib>=3.9.0
myst-parser>=3.0.1
pre-commit>=3.7.1
pyright>=1.1.365
pytest>=8.2.1
rdkit-stubs>=0.7
sphinx>=7.3.7
sphinxcontrib-serializinghtml>=1.1.10
sphinx-rtd-theme>=2.0.0
twine>=5.1.0
