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v2.1.5
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@sverhoeven sverhoeven released this 01 Mar 10:49
· 113 commits to master since this release
v2.1.5
9d5525a

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

  • Fragment information node fails completely when just one of the fragment ids is wrong (#11)
  • Fragment similarity node gives warnings for query fragment ids that can not be found
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