numpy
torch
torch_geometric
matplotlib
ase
tqdm
pytest
pytest-cov
PyYAML
torchpathdiffeq
fairchem-core>=2.4.0

[dev]
pytest>=7.4.0
pytest-cov>=3.0.0
ruff>=0.0.285

[docs]
mkdocs-material>=9.4.0
mkdocstrings[python]>=0.22.0
mkdocs-gen-files>=0.5.0
mkdocs-literate-nav>=0.6.0
pillow>=10.0.0
cairosvg>=2.7.1
