numpy>=1.21
matplotlib>=3.5

[chem]
rdkit>=2023.9

[cif]
gemmi>=0.7

[dgl]
torch>=2.0
dgl>=1.1

[fast]
scipy>=1.7

[gnn]
networkx>=2.6
torch>=2.0
torch-geometric>=2.3
dgl>=1.1

[graph]
networkx>=2.6

[pyg]
torch>=2.0
torch-geometric>=2.3

[test]
pytest>=7

[viz]
py3Dmol>=2.0
