quickjs-ng>=0.16

[extra-clean2d]
jpype1>=1.6.0
openbabel-wheel>=3.1.1.22
epam.indigo>=1.45

[extra-clean3d]
cdpkit>=1.2.3

[iupac]

[iupac:python_version >= "3.11"]
openclatura>=0.2

[mapping]
numpy>=1.21.0
onnxruntime>=1.16
chython-rxnmap>=2.0

[ml]
numpy>=1.21.0

[rdkit]
rdkit>=2025.9
