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@sverhoeven sverhoeven released this 21 Jul 14:19
· 59 commits to master since this release
v2.3.0
0a877db

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.

Added

  • Node to fetch pharmacophore from local db file (#12)
  • Node to fetch pharmacophore from webservice (#12)

Changed

  • Require KNIME 3.3
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