Node Connectivity

There are 2898 nodes that can be used as successor for a node with an output port of type Table.

RDKit Add Conformers 

Creates a new table with multiple conformers per input molecule.

RDKit Open 3D Alignment 

Aligns the 3D model of two structures based on their shape and three-dimensional conformation.

RDKit RMSD Filter 

Calculates the best RMSD value for different conformers of the same RDKit molecules and filters them based on a threshold value.

Fingerprint Writer (deprecated) Deprecated

Node to write fingerprints from an input table to a FPS file.

RDKit Fingerprint Streamable

Generates hashed bit-based fingerprints for an input RDKit Mol column.

RDKit Count-Based Fingerprint Streamable

Generates hashed count-based fingerprints for an input RDKit Mol column.

RDKit Fingerprint Writer 

Node to write fingerprints from an input table to an FPS file.

RDKit Diversity Picker 

Picks diverse rows.

RDKit Fingerprint Writer Deprecated

Node to write fingerprints from an input table to an FPS file.

RDKit Molecule Extractor 

Splits up fragment molecules contained in a single RDKit molecule cell and extracts these molecules into separate cells.