8 Commits

Author	SHA1	Message	Date
Greg Landrum	9c1ee6c8fb	get the new lapack-free version working on windows	2009-10-31 05:24:15 +00:00
Greg Landrum	3c69983aa2	remove lapack/blas dependency from the GraphMol/Subgraphs area; needs docs and testing on other systems	2009-10-30 09:30:27 +00:00
Greg Landrum	8e731f9e70	move the MolDiscriminators calculations into Subgraphs in order to remove the lapack dependency from the core molecule code; ... At some point the BalabanJ calculation, still in MolDiscriminators.cpp, should be moved to MolDescriptors.	2009-04-10 04:09:49 +00:00
Greg Landrum	029e08d6b4	merge in the changes from the 64 bit port branch r703:717	2008-06-11 05:01:17 +00:00
Greg Landrum	9c7f33a5c8	merge changes from QuerySerialization_6March2008 branch, revs 555:563, into the trunk;	2008-03-12 06:11:39 +00:00
Greg Landrum	3e6cb74075	cleanup and documentation changes	2007-11-14 06:09:52 +00:00
Greg Landrum	5d03333c22	setup svn keywords (should have done this before import... grn)	2006-05-06 22:54:39 +00:00
Greg Landrum	75a79b6327	initial import	2006-05-06 22:20:08 +00:00