Greg Landrum e011d14fb1 add the kappa descriptors

2012-10-28 17:00:29 +00:00

..

CMakeLists.txt

update a couple build files

2011-03-28 11:08:04 +00:00

rdMolDescriptors.cpp

add the kappa descriptors

2012-10-28 17:00:29 +00:00

test_list.py

get the new lapack-free version working on windows

2009-10-31 05:24:15 +00:00

testMolDescriptors.py

add some mol formula tests

2012-08-24 11:36:51 +00:00