quacc>=0.10.0
numpy<2.0.0

[aim2net]
torch>=2.1.2
ase>=3.22.1

[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

[mlp]
m3gnet>=0.2.4
tensorflow>=2.14.0
pathos>=0.3.2
keras<=3.4.1

[molecule]
rdkit>=2024.3.1
goodvibes>=3.2
