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v2.2.0

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@sverhoeven sverhoeven released this 06 Mar 10:14

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 v2.2.0 or higher.

Added

  • Pure Java nodes to fetch fragment information and similarites from web service (#17)

Changed

  • Python nodes only work for local files, no longer for web service urls