Published August 12, 2020
| Version Release_2020_03_5
Software
Open
rdkit/rdkit: 2020_03_5 (Q1 2020) Release
Authors/Creators
- Greg Landrum
- Paolo Tosco
- Brian Kelley
- sriniker
- gedeck
- Riccardo Vianello
- Ric
- NadineSchneider
- Andrew Dalke
- Dan N1
- Brian Cole
- Eisuke Kawashima
- Samo Turk
- Matt Swain2
- AlexanderSavelyev
- Alain Vaucher3
- David Cosgrove4
- Maciej Wójcikowski
- Daniel Probst5
- guillaume godin6
- Axel Pahl7
- Francois Berenger8
- JLVarjo
- jones-gareth
- strets123
- JP
- DoliathGavid
- Gianluca Sforna
- Jan Holst Jensen
- Patrick Fuller9
- 1. @schrodinger
- 2. Vernalis Research
- 3. IBM Research
- 4. CozChemIx Limited
- 5. @reymond-group
- 6. @firmenich
- 7. MPI of Molecular Physiology (Dortmund)
- 8. Kyushu Institute of Technology
- 9. NuMat Technologies
Description
Release_2020.03.5
(Changes relative to Release_2020.03.5)
Acknowledgements:Jinserk Baik, Gareth Jones, Steven Kearnes, Jaime Rodriguez-Guerra
Bug Fixes:- ctest pythonTestDirChem failed (github #2757 from jinserk)
- MinimalLib Dockerfile is broken at HEAD (github #3267 from skearnes)
- Get PPC builds working (github #3285 from greglandrum)
- ScaffoldNetwork not in C# wrappers (github #3289 from jones-gareth)
- bonds with "either' stereo cannot be read from JSON (github #3290 from greglandrum)
- Not possible to copy SubstanceGroups in Python (github #3312 from greglandrum)
- Stereochemistry perception getting confused by a bad drawing. (github #3314 from greglandrum)
- SubstanceGroups should not be written with quotes around missing fields (github #3315 from greglandrum)
Files
rdkit/rdkit-Release_2020_03_5.zip
Files
(62.4 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:8011a980d586a16b71ee40614e2ad362
|
62.4 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/rdkit/rdkit/tree/Release_2020_03_5 (URL)