numpy<3,>=2
scipy<2,>=1.14
ase<4,>=3.23
gemmi<0.8,>=0.7
AuToGraFS==3.2.0
mcp<2,>=1.9
Pillow>=10
rdkit>=2024.9

[dev]
pytest>=8
ruff>=0.5
Pillow>=10

[molecules]
rdkit>=2024.9
