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6 Commits

Author SHA1 Message Date
Eisuke Kawashima
185ec927ab Unset executable flag 2019-10-10 20:18:43 +09:00
Greg Landrum
0aff90751a change bogus "3D" to "2D" in a test file (#2319) 
we raise a warning about this now
 2019-03-06 16:06:15 -05:00
Greg Landrum
8dc00ad6e4 passes C++ and python tests 2014-02-23 07:49:46 +01:00
Greg Landrum
ed133927ec fix and test issue 3415534 2011-09-30 03:23:30 +00:00
Greg Landrum
4325789d25 move lipinski descriptors to C++. 
rename CalcCrippenDescriptors -> calcCrippenDescriptors
 2011-03-14 10:24:42 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00