Node Connectivity

There are 5547 nodes that can be used as predessesor for a node with an input port of type Generic Port.

RDKit Optimize Geometry Streamable

Optimizes the geometry for an input RDKit Mol column and calculates the molecule's energy in kcal/mol.

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 Reader (deprecated) Deprecated

Node to read fingerprints from a FPS file into an output table.

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 Reader 

Node to read fingerprints from a FPS file into an output table.

RDKit Diversity Picker 

Picks diverse rows.

RDKit Fingerprint Reader Deprecated

Node to read fingerprints from a FPS file into an output table.