torch<2.6,>=2.4.0
scikit-learn<2,>=1.5.1
padelpy<0.2,>=0.1.16
alvadescpy<0.2,>=0.1.3
ecabc<4,>=3.0.1

[dev]
pytest>=8
pytest-cov>=6
ruff>=0.8
pre-commit>=4
build>=1.2
pip-audit>=2.7

[docs]
sphinx>=7
furo>=2024.8
sphinx-autodoc-typehints>=2
sphinx-copybutton>=0.5
myst-parser>=3
