Dear all, Roger Sayle recently contributed a C++ version of the RDKit's MACCS fingerprints implementation. This is now checked in and support for the MACCS fingerprints has been added to the Java wrapper and the PostgreSQL cartridge.
Roger did a bit of optimization work along the way (replacing some of the less-than-optimized SMARTS patterns with smarter code): the C++ version is about 15% faster than the original. Thanks Roger! -greg ------------------------------------------------------------------------------ Free Next-Gen Firewall Hardware Offer Buy your Sophos next-gen firewall before the end March 2013 and get the hardware for free! Learn more. http://p.sf.net/sfu/sophos-d2d-feb _______________________________________________ Rdkit-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
