numpy>=1.24
scikit-learn>=1.3
rdkit>=2022.9

[dev]
pytest
pytest-cov
matplotlib
pandas

[docs]
sphinx>=7.0
sphinx-rtd-theme>=2.0
myst-parser>=2.0
sphinx-autodoc-typehints>=1.24
numpydoc>=1.6

[lint]
pylint>=3.0
