Sereina Riniker b3a2a6fffb ConformerParser updated

2014-04-07 15:03:42 +02:00

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ConformerParser

ConformerParser updated

2014-04-07 15:03:42 +02:00

fraggle

move base fraggle similarity code to rdkit.Chem.Fraggle

2013-10-22 07:32:37 +02:00

LEF

adding Contrib directory

2010-03-04 04:52:39 +00:00

M_Kossner

fix github issue 17

2013-04-16 03:31:43 +00:00

mmpa

update docs

2013-08-14 12:23:00 +02:00

PBF

add an RDKit implementation of the Plane of Best Fit algorithm

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

pzc

Train ChEMBL-based models

2014-02-03 16:29:40 +01:00

SA_Score

efficiency patch for the sa score code from Nick Firth

2013-10-05 07:40:34 +02:00