torch
pytorch-lightning
ase
numpy
rich
dacite
e3nn
scikit-learn
locache
load-atoms>=0.3.8
wandb
data2objects>=0.1.0

[dev]
ruff
sphinx-autobuild
pre-commit

[docs]
sphinx
furo
nbsphinx
sphinxext-opengraph
sphinx-copybutton
sphinx-design

[publish]
build
twine

[test]
pytest
pytest-cov
