KNIME Silicos-it nodes

A node for the KNIME workflow systems that allows you to use the Silicos-it software to filter or align molecules.

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73 commits | Last update: November 08, 2017

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What KNIME Silicos-it nodes can do for you

  • For cheminformaticians that want to use the Silicos-it software in the KNIME workflow platform
  • A thin wrapper around the Silicos-it software, the node can be configured using dialog instead of command line arguments
  • The Silicos-it shape-it is used to align molecules based on shape and align-it is used to align molecules based on their pharmacophore
  • The Silicos-it binaries come bundled with the KNIME node installation so you don't need to download and compile the Silicos-it software yourself
Tags
  • Workflow technologies
Programming Language
  • Java
License
  • Apache-2.0
Source code

Participating organizations

Contributors

  • Stefan Verhoeven
    Netherlands eScience Center
  • Albert J. Kooistra
    VU University Amsterdam
Contact person
Stefan Verhoeven
Netherlands eScience Center