Published February 7, 2018
| Version v.2.4.0
Software
Open
3D-e-Chem/knime-kripodb: v2.4.0
Authors/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 reference for more information.
Requires KripoDB v2.3.0 or higher.
Changed
- Allow Python node to use Python 2 or 3
- Require KNIME 3.5
Files
3D-e-Chem/knime-kripodb-v.2.4.0.zip
Files
(10.7 MB)
| Name | Size | Download all |
|---|---|---|
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md5:25fa81348e2b21e5da1c7c7f949823a7
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10.7 MB | Preview Download |
Additional details
Related works
- Cites
- 10.1186/1758-2946-6-S1-O26 (DOI)
- Is referenced by
- 10.5281/zenodo.833372 (DOI)
- Is supplement to
- https://github.com/3D-e-Chem/knime-kripodb/tree/v.2.4.0 (URL)