Brian Kelley 6d18da17ea Dev/update glare to py3 (#3892) ...

* Updates glare to python 3

* remove commented out code as per review

2021-03-07 17:52:16 +01:00

..

AtomAtomSimilarity

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

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

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

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

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

Glare

Dev/update glare to py3 (#3892)

2021-03-07 17:52:16 +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

Remove boost::foreach from public headers (#3820)

2021-02-17 14:15:48 +01:00

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