mp-api>=0.45
pymatgen>=2024.11.13
ase>=3.26.0
numpy<2.5,>=2.0
scipy>=1.11.0
python-dotenv>=1.0.0

[adsorbml]
fairchem-core[adsorbml]>=2.21.0

[dev]
pytest>=7.0.0
pytest-cov>=4.0.0
black>=23.0.0
flake8>=6.0.0
mypy>=1.0.0

[ml]
fairchem-core>=2.21.0
