torch
pytorch-lightning
ase
numpy
rich
dacite
e3nn<=0.5.3
scikit-learn
locache>=4.0.2
load-atoms>=0.3.9
wandb
data2objects>=0.1.0
pyright>=1.1.394
vesin>=0.3.2

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

[publish]
build
twine

[test]
pytest
pytest-cov
