schrodinger.application.mlff.constants module

This module defines constants related to the Machine Learning Force Field (MLFF) models.

Note that common mlff model type collections are lazily loaded via getter functions to avoid calling MlffModelType.getOfficialModelTypes() at import time (because it searches on disk).

schrodinger.application.mlff.constants.official_mlff_model_types(exclusions=())

Return a dict of official MLFF model types, excluding those with specified limitations.

schrodinger.application.mlff.constants.desmond_mlff_model_types()

Return a dict of MLFF model types compatible with Desmond.

schrodinger.application.mlff.constants.jaguar_mlff_model_types()

Return a dict of MLFF model types compatible with Jaguar.

schrodinger.application.mlff.constants.jaguar_spin_mlff_model_types()

Return a dict of spin-aware MLFF model types compatible with Jaguar.

schrodinger.application.mlff.constants.pbc_compatible_mlff_model_types()

Return a dict of PBC-compatible MLFF model types.