torch>=1.12
e3nn==0.4.4
numpy<2.0
opt_einsum
ase
torch-ema
prettytable
matscipy
h5py
torchmetrics
python-hostlist
configargparse
GitPython
tqdm
matplotlib
pandas

[dev]
black
isort
mypy
pre-commit
pytest
pylint

[schedulefree]
schedulefree

[wandb]
wandb
