There are 5129 nodes that can be used as predessesor
for a node with an input port of type Generic Port.
Aromatizes an RDKit Molecule.
Kekulizes an RDKit Molecule.
Node for stripping salts from molecules.
Node for descriptor calculation of RDKit Molecules.
Calculates Gasteiger charges for all atoms of a molecule.
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.
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