ase>=3.23.0
e3nn==0.5.0
seekpath
numpy<2
pymatgen
loguru
torch==2.2.0
torchvision==0.17.0
torchaudio==2.2.0
torch_runstats==0.2.0
torch_geometric==2.5.3
torchmetrics>=0.10.0
torch-ema==0.3
opt_einsum_fx
azure-storage-blob
azure-identity
mp-api
emmet-core<0.84
pydantic==2.9.2
deprecated

[dev]
pytest
pytest-cov
pytest-testmon
pre-commit
ipython
ipykernel

[docs]
sphinx
sphinx-autodoc-typehints
sphinx_book_theme
sphinx-copybutton
recommonmark
nbsphinx
nbconvert
