numpy>=2
scipy
ase
matplotlib
cymem
scikit-learn
h5py
dscribe>=2.0.0
ray
rich-click>=1.8.3
pydantic>=2.11.7
ase-ga>=1.0.3

[all]
agox[docs,test]

[docs]
sphinx
furo
sphinx-autoapi
sphinx-copybutton
sphinx-tabs
sphinx-design
sphinx-autobuild
myst-parser
myst-nb
sphinx-substitution-extensions
ipywidgets

[test]
pytest
pytest-mock
pytest-regressions

[torchjax]
torch
jax
jaxlib
typing_extensions
matscipy
