numpy>=1.24
scikit-learn>=1.3

[ani]
torchani>=2.2

[chgnet]
chgnet>=0.3

[dev]
pytest>=7.0
pytest-cov>=4.0
ruff>=0.1
mypy>=1.5
pre-commit>=3.0

[full]
torch>=2.0
mace-torch>=0.3
chgnet>=0.3
torch-geometric>=2.4
torchani>=2.2
matplotlib>=3.7
seaborn>=0.12
pandas>=2.0
scipy>=1.11

[mace]
mace-torch>=0.3

[pyg]
torch-geometric>=2.4

[torch]
torch>=2.0

[viz]
matplotlib>=3.7
seaborn>=0.12
