Files
rdkit/Code/GraphMol/Fingerprints/fpgen_catch_tests.cpp
Greg Landrum 9a4cca3967 Allow using generators for similarity maps (#8912)
* add option to track atoms involved in each bit for morgan FP

Needs test still

* support similarity maps using fingerprint generators

* support RDKit, AP, and TT

still need tests

* add some testing

* response to review
2025-11-06 19:12:29 +01:00

19 KiB