Published January 20, 2017
| Version v2.1.3
Software
Open
3D-e-Chem/knime-kripodb: v2.1.3
Creators
- 1. Nederlands eScience Center
- 2. Vrije Universiteit Amsterdam
- 3. UMC Nijmegen
Description
KNIME nodes for KripoDB (https://github.com/3D-e-Chem/kripodb).
KripoDB is a Python package used to interact with Kripo fragment, fingerprint and similarity data files.
KRIPO stands for Key Representation of Interaction in POckets, see http://dx.doi.org/10.1186/1758-2946-6-S1-O26 for more information.
Added
- kripodb Python installation instruction in node description (#16)
- code coverage (#19)
Changed
- Allow fragments db to be a webservice url (#15)
- Tests run against mocked web service (#18)
Files
3D-e-Chem/knime-kripodb-v2.1.3.zip
Files
(9.9 MB)
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Additional details
Related works
- Cites
- 10.1186/1758-2946-6-S1-O26 (DOI)
- Is supplement to
- https://github.com/3D-e-Chem/knime-kripodb/tree/v2.1.3 (URL)