Ric 2afb4fbac4 Mem checkup & fixes (#3510) ...

* fix leak in testConformerParser

* fix leaks in testMultithreadedMolSupplier

* fix leak in catch_graphmol

* pass build type to YAEHMOP

* cleanup fragments in CoordGen minimizeOnly

* fix leaking ConjElectrons stack in res mol supplier

* avoid double delete

* do not delete 'this'; clean ce not added to map

* delete mol if Multithreaded SD readMolProps throws

* fix typo

* fix typo in comment

2020-11-09 12:08:36 -05:00

..

AtomAtomSimilarity

Remove a bunch of Python2-related warts (#2315)

2019-03-06 20:43:49 -05:00

ChiralPairs

Fix typo [ci skip]

2019-10-17 17:45:50 +09:00

ConformerParser

Mem checkup & fixes (#3510)

2020-11-09 12:08:36 -05:00

Fastcluster

Update Readme.md (#2051)

2018-09-21 05:14:25 +01:00

fraggle

Remove a bunch of Python2-related warts (#2315)

2019-03-06 20:43:49 -05:00

Glare

Fix typo (#2862)

2019-12-31 06:43:27 +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

Replace basestring (#3441)

2020-09-29 04:53:12 +02:00

mmpa

Update DOI resolver [ci skip]

2019-10-21 11:07:09 +09:00

MolVS

Dev/GSOC2018_MolVS_Integration (#2002)

2018-09-28 11:24:25 +02:00

NIBRSubstructureFilters

Initial commit NIBR 2019 substructure filter (#3516)

2020-10-22 14:46:16 +02:00

NP_Score

Remove a bunch of Python2-related warts (#2315)

2019-03-06 20:43:49 -05:00

PBF

Modernize deprecated header inclusion (#3137)

2020-05-04 10:40:57 +02:00

pzc

Fix typo (#2862)

2019-12-31 06:43:27 +01:00

RxnRoleAssignment

Fix typo (#2862)

2019-12-31 06:43:27 +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