ase>=3.23.0
azure-identity
azure-storage-blob
scikit-learn
deprecated
e3nn>=0.5.0
atomate2
loguru
mp-api
numpy>=2.0.0
opt_einsum_fx
pydantic>=2.9.2
pymatgen
seekpath
phonopy
phono3py
torch-ema>=0.3
torch>=2.2.0
torch_geometric>=2.5.3
torch_runstats>=0.2.0
torchaudio>=2.2.0
torchmetrics>=0.10.0
torchvision>=0.17.0
torch-sim-atomistic>=0.6.0
wandb
typer

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

[docs]
furo
nbconvert
nbsphinx
myst-parser
sphinx>=7.0
sphinx-autodoc-typehints
sphinx-copybutton
sphinx-design
