Published June 6, 2017
| Version Release_2017_03_2
Software
Open
rdkit/rdkit: 2017_03_2 (Q1 2017) Release
Creators
- Greg Landrum
- Brian Kelley
- Paolo Tosco
- sriniker
- gedeck
- NadineSchneider
- Riccardo Vianello
- Andrew Dalke
- AlexanderSavelyev
- Samo Turk1
- Matt Swain
- JP
- strets123
- JLVarjo
- Axel Pahl2
- Patrick Fuller3
- DoliathGavid
- Maciej Wójcikowski
- David Cosgrove4
- Gianluca Sforna
- Brian Cole
- Michał Nowotka5
- pzc
- Jan Holst Jensen
- Jan Domański
- David Hall6
- Noel O'Boyle
- Wolf-Guido Bolick
- nhfechner
- Berend Huisman
- 1. BioMed X GmbH
- 2. MPI of Molecular Physiology (Dortmund)
- 3. NuMat Technologies
- 4. CozChemIx Limited
- 5. EMBL-EBI
- 6. Acpharis
Description
Release_2017.03.2
(Changes relative to Release_2017.03.1)
Acknowledgements:Peter Gedeck, Jameed Hussain, Brian Kelley, Matthew O'Meara, Steve Wilkins
Bug Fixes:- MMP code not including molecules with no cuts (github issue #1406 from greglandrum)
- Fixes PandasTools to also work with pandas 0.20 (github pull #1410 from bp-kelley)
- csharp input files out of date (github issue #1413 from greglandrum)
- MaxMinPicker picking non-existent element (github issue #1421 from greglandrum)
- _isCallable clashes with Celery (github issue #1434 from momeara)
- Impossible to build the RDKit from source without Python installed (github issue #1435 from greglandrum)
- fix a couple failing windows tests related to temp file removal (github issue #1446 from greglandrum)
Files
rdkit/rdkit-Release_2017_03_2.zip
Files
(28.3 MB)
| Name | Size | Download all |
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md5:48b248c6e21fa8d576f6ae31cb4b2cf4
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Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2017_03_2 (URL)