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Diversity Picker

LigandScout Clustering
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The Diversity Picker node finds the most diverse molecules from the input table (fingerprint selection).

Node details

Input ports
  1. Type: Table
    Input molecule table
    Table containing the molecules with a fingerprint property
Output ports
  1. Type: Table
    Output molecule table
    Table containing the picked molecules

Extension

The Diversity Picker node is part of this extension:

Related workflows & nodes