requests
scipy
pyyaml
monty
loguru
ase<3.23
numpy<2.0

[docs]
sphinx
furo
myst-nb
sphinx-autodoc-typehints
sphinx-copybutton
matplotlib

[test]
pytest
pytest-cov
kimpy
emcee
numpy<2.0
ase<3.23
libdescriptor

[torch]
torch
torch_geometric
pytorch_lightning
torch_scatter
tensorboard
tensorboardx
