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@sverhoeven sverhoeven released this 20 Jan 15:25
· 126 commits to master since this release

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.

Added

  • kripodb Python installation instruction in node description (#16)
  • code coverage (#19)

Changed

  • Allow fragments db to be a webservice url (#15)
  • Tests run against mocked web service (#18)