Greg Landrum f074551d04 fix a bug that wouldn't allow nspcore to be used like a library

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

..

ConformerParser

ConformerParser updated

2014-04-09 08:30:06 +02:00

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

Fixes #564

2015-08-14 04:24:14 +02:00

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

python3 portability fixes for pandas and the ipython notebook

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

SA_Score

remove the outf parameter

2015-08-19 06:15:51 +02:00

CMakeLists.txt

option to build Contrib with RDKit added

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