Files
rdkit/Code/GraphMol/Subgraphs/Subgraphs.cpp
Greg Landrum cb6caa161b Add option to only include shortest paths for topological torsion fingerprints (#6090)
* get findAllPaths versions working

* add that to the python wrapper

* add overlooked test file

* update test

* change in response to review
2023-02-20 11:13:53 +01:00

21 KiB