There are 2879 nodes that can be used as successor
for a node with an output port of type Table.
Generates coordinates (2D or 3D) for an input RDKit mol column
Optimizes the geometry for an input RDKit Mol column and calculates the molecule's energy in kcal/mol.
Creates a new table with multiple conformers per input molecule.
Aligns the 3D model of two structures based on their shape and three-dimensional conformation.
Calculates the best RMSD value for different conformers of the same RDKit molecules and filters them based on a threshold value.
Node to write fingerprints from an input table to a FPS file.
Generates hashed bit-based fingerprints for an input RDKit Mol column.
Generates hashed count-based fingerprints for an input RDKit Mol column.
Node to write fingerprints from an input table to an FPS file.
Picks diverse rows.