Apologies that the headers aren't right on this; I'm not on the mailing list (so please CC me on replies). Noel pointed me to the discussion.
I added a vf2 implementation to the RDKit earlier this year. Here's the announcement along with some benchmarking: http://www.mail-archive.com/rdkit-disc...@lists.sourceforge.net/msg00589.html Since that announcement the code has moved onto the trunk: http://rdkit.svn.sourceforge.net/viewvc/rdkit/trunk/Code/GraphMol/Substruct/vf2.hpp?revision=1082&view=markup I had been using the vflib implementation of the vf2 algorithm for years, it was definitely functioning code, but being able to skip the translation step to the vflib graph representation made a big difference. Best Regards, -greg ------------------------------------------------------------------------------ Return on Information: Google Enterprise Search pays you back Get the facts. http://p.sf.net/sfu/google-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
