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)

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md5:4c9aee454652cc24bd35392f8727fc3a
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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/kripodb/tree/v3.0.0 (URL)