numpy>=1.23
pandas>=1.5
ase>=3.22
fairchem-core>=2.0.0
fairchem-data-oc>=0.1.0

[dev]
pytest>=7.0
ruff>=0.3.0

[mp]
mp-api>=0.39.0
pymatgen>=2023.10.0

[smiles]
rdkit>=2023.3.1
