There are 4973 nodes that can be used as predessesor for a node with an input port of type Generic Port.
Calculates the RMSD between different conformers
Holistic descriptors described by Todeschini et al. The descriptors are based on a number of atom weightings. There are 5 different possible weightings […]
Tautomer generator for CDK molecules.
Converts CDK molecules into various string representations
Translates various string representations into a specialised CDK type for further processing in CDK based nodes.
Generates 2D coordinates for CDK cells
This node generates atom signatures describing the neighbourhood of individual atoms in CDK molecules.
Download molecular structures from ChemSpider.com.
Handles unconnected molecules
Depict CDK structures into images
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