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rdkit/Contrib
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Ric 3b2916c9a4 Fixes #5172 (#5181) 
* add test

* fix LogStateSetter

* fix BlockLogs() usage in Draw module

* allow BlockLogs() as a contestmgr

* move test to more suitable location

* guarantee log restoration on __exit__

* skip test if logs cannot be grabbed before block
2022-04-12 05:57:25 +02:00
..
AtomAtomSimilarity
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
CalcLigRMSD
Contrib: Added function CalcLigRMSD to calculate RMSD between pre-aligned molecules (#3812)
2021-02-17 20:30:59 +01:00
ChiralPairs
Fix typo [ci skip]
2019-10-17 17:45:50 +09:00
ConformerParser
Remove boost::foreach from public headers (#3820)
2021-02-17 14:15:48 +01:00
Fastcluster
Update Readme.md (#2051)
2018-09-21 05:14:25 +01:00
fraggle
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
FreeWilson
Fixes #5172 (#5181)
2022-04-12 05:57:25 +02:00
Glare
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
IFG
Make IFG license clear (#1932)
2018-06-25 13:07:26 +02:00
LEF
Update DOI resolver [ci skip]
2019-10-21 11:07:09 +09:00
M_Kossner
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
mmpa
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
MolVS
Dev/GSOC2018_MolVS_Integration (#2002)
2018-09-28 11:24:25 +02:00
NIBRSubstructureFilters
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
NP_Score
Remove a bunch of Python2-related warts (#2315)
2019-03-06 20:43:49 -05:00
PBF
Remove boost::foreach from public headers (#3820)
2021-02-17 14:15:48 +01:00
pzc
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
RxnRoleAssignment
Fix Flake8 erorrs (#4252)
2022-03-10 06:55:18 +01:00
SA_Score
Fix data race in sascorer.py (#2744)
2019-10-31 07:53:17 +01:00
CMakeLists.txt
option to build Contrib with RDKit added
2014-04-08 09:38:45 +02:00