Published March 28, 2018
| Version v3.0.0
Software
Open
KripoDB
Creators
- 1. Netherlands eScience Center
- 2. Vrije Universiteit Amsterdam
- 3. UMC Nijmegen
Description
Library to interact with Kripo fragment, fingerprint and similarity data files.
KRIPO stands for Key Representation of Interaction in POckets, see reference for more information.
Changed
- Fingerprints changed format from intbitset to Roaring bitmap (#52)
Fingerprint data files created with KripoDB < 3 will not work anymore. They must be exported to makebits with old version of KripoDB and imported in new version.
Fixed
- When generating similarities of the same fingerprints force ignore upper triangle
Files
3D-e-Chem/kripodb-v3.0.0.zip
Files
(5.2 MB)
Name | Size | Download all |
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md5:4c9aee454652cc24bd35392f8727fc3a
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5.2 MB | Preview Download |
Additional details
Related works
- Cites
- 10.1186/1758-2946-6-S1-O26 (DOI)
- Is supplement to
- https://github.com/3D-e-Chem/kripodb/tree/v3.0.0 (URL)