The alvaDesc KNIME Plugin contains three KNIME nodes:

  • Descriptor: calculates molecular descriptors
  • Fingerprint: calculates molecular fingerprints
  • Molecule Reader: reads standard molecule files and can be used as a source for the other two nodes (which are also compatible with KNIME standard molecule nodes)

In order to work, the plugin requires a licensed version of alvaDesc installed on the same computer.

Video

A short video introduction:

Install

You can install the alvaDesc Plugin directly from KNIME:

  1. Make sure you have an updated version of KNIME (at least 3.7.1)
  2. Make sure the Alvascience update site is present and checked in the list of the Available Software Sites (File -> Preferences -> Install/Update -> Available Software Sites), if it is not:
    • Go to File -> Preferences -> Install/Update -> Available Software Sites
    • Click Add…
    • Fill in the Name: Alvascience update site
    • Fill in the Location: https://www.alvascience.com/knime/latest
    • Click Add
    • Click Apply and Close
  3. Click File -> Install KNIME Extensions…
  4. Search for Alvascience
  5. Select Alvascience alvaDesc Plugin
  6. Click Next and follow KNIME instructions

The node will be then available in the section Alvascience -> alvaDesc Nodes.

Update

You can update the alvaDesc Plugin directly from KNIME:

  1. Make sure you the Alvascience update site is configured (check the Install section)
  2. Click File -> Update KNIME…
  3. Click Next and follow KNIME instructions