Greg Landrum 2513e73465 merge mmpa branch

2015-10-30 04:45:58 +01:00

..

ConformerParser

Major conversion of std::string API to const std::string &

2015-09-25 15:15:59 -04:00

fraggle

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

LEF

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

M_Kossner

python3 portability fixes for pandas and the ipython notebook

2014-09-11 23:49:45 +02:00

mmpa

merge mmpa branch

2015-10-30 04:45:58 +01:00

NP_Score

fix a bug that wouldn't allow nspcore to be used like a library

2015-09-03 07:23:32 +02:00

PBF

add an RDKit implementation of the Plane of Best Fit algorithm

2012-11-17 03:57:07 +00:00

pzc

removed bare except but did not test because I don't have the 'requests' library

2015-09-07 13:08:07 +02:00

SA_Score

move SA_scorer over to using the C++ defns

2015-09-21 13:50:55 +02:00

CMakeLists.txt

option to build Contrib with RDKit added

2014-04-08 09:38:45 +02:00