Node Clustering

The Clusterer classes can be used to separate a collection of Components by a specific property into sub-groups. They serve as powerful tools within a workflow and enable some network generation schemes, such as the Starry Sky Network.

In konnektor, the following clustering classes are currently available:

• ChargeClusterer: separates molecules by net charge changes.

• ScaffoldClusterer: separates molecules by shared scaffolds

• DiversityClusterer: uses fingerprints to cluster the different molecules.