Files
rdkit/External/pubchem_shape/Wrap
Greg Landrum a5bcf726e1 allow custom shape points (#8799)
* support providing custom features

* expose that to python

* switch to tuples (on get) and objects (on set) for attributes

* allow aligning mols directly with ShapeInputOptions

* changes for review

* add warning
2025-09-23 18:56:03 +02:00
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