schrodinger.application.steps.transformers module

class schrodinger.application.steps.transformers.Standardizer(*args, **kwargs)

Bases: schrodinger.application.steps.basesteps.MolMapStep

Desalts and neutralizes the input molecules using RDKit logic.

setUp()

Hook for adding any type of work that needs to happen before any outputs are created.

mapFunction(mol)

class schrodinger.application.steps.transformers.StereoChemistryRemover(*args, **kwargs)

Bases: schrodinger.application.steps.basesteps.MolMapStep

Removes the stereo chemistry from a molecule.

mapFunction(mol)