mtenn.model

This module contains the actual models that are used for making predictions. More information on how everything here works is in the docs page.

Classes

GroupedModel	Subclass of Model for use with multi-pose data, eg multiple docked poses of the same molecule with the same protein.
LigandOnlyModel	A ligand-only version of the Model.
Model	Model object containing a Representation block that will take an input and convert it into some representation, and a Strategy block that will take a complex representation and any number of constituent "part" representations, and convert to a final scalar value.
SplitModel	Model object containing a Representation block that will take an input and convert it into some representation, and a Strategy block that will take a complex representation and any number of constituent "part" representations, and convert to a final scalar value.