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67339cfa3b35085d560f5e6d4932767af55d2399
rdkit/Contrib
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Greg Landrum 67339cfa3b add python3 compatibility (#1057)
2016-09-09 15:15:57 +02:00
..
AtomAtomSimilarity
add python3 compatibility (#1057)
2016-09-09 15:15:57 +02:00
ConformerParser
- Added AMBER trajectory reader and relevant tests
2016-04-16 20:28:45 +01:00
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
* removed op alias
2016-03-05 18:10:25 +01:00
PBF
first-pass python implementation of this
2015-12-02 17:43:24 +01:00
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
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