torch>=2.1
numpy>=1.24
pandas>=2.0
pymatgen>=2024.1.1
scikit-learn>=1.3
matplotlib>=3.7
pyyaml>=6.0
pydantic>=2.5
openpyxl>=3.1

[app]
gradio>=4.0

[dev]
pytest>=7.4

[docs]
mkdocs-material>=9.5
mkdocstrings[python]>=0.24

[parquet]
pyarrow>=14

[stability]
ase>=3.22
mace-torch>=0.3.6
