numpy>=1.16.4
matplotlib>=3.3.4
torch>=1.0.0
dgl>=0.5.2
dgllife>=0.2.6

[rdkit]

[rdkit:python_version < "3.7"]
rdkit-pypi>=2021.3.2

[rdkit:python_version >= "3.7"]
rdkit>=2022.3.4
