Greg Landrum f3d06ac331 refactor a bit to make this more logical

2012-03-26 03:08:02 +00:00

..

CMakeLists.txt

update a couple build files

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

rdMolDescriptors.cpp

refactor a bit to make this more logical

2012-03-26 03:08:02 +00:00

test_list.py

get the new lapack-free version working on windows

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

testMolDescriptors.py

first pass at adding support for atom invariants in the rdkit, atom-pairs, and topological torsions fingerprints

2012-03-25 12:58:42 +00:00