numpy<3,>=1.20
rdkit>=2022.9.1
typing-extensions

[dev]
pytest>=7.1.2
hypothesis
nbclient
nbformat
ruff>=0.6.0

[docs]
rdkit<2025,>=2022.9.1
pydata-sphinx-theme
myst-nb
sphinx-autodoc-typehints
sphinx-copybutton
sphinx-design

[docs:python_version >= "3.11"]
sphinx<9,>=8.2
