pandas>=1.1
tensorflow==2.5
tensorflow-probability==0.12.2
pymatgen==2022.0.11
matminer==0.7.4
numpy==1.21.1
scikit-learn==0.24.2
spglib==1.16.1
scipy==1.6.2

[dev]
pre-commit~=2.11

[test]
pytest>=6.0
pytest-cov>=2.10
flake8>=3.8
