schrodinger.application.desmond.fep_edge_data_classifier module

class schrodinger.application.desmond.fep_edge_data_classifier.Rating

Bases: enum.Enum

An enumeration.

NA = 0

GOOD = 1

FAIR = 2

BAD = 3

schrodinger.application.desmond.fep_edge_data_classifier.rate(name: str, data) → schrodinger.application.desmond.fep_edge_data_classifier.Rating

Return rating for the FEP edge data with the given name. The format of data varies depending on the case.

Parameters:name – Name of the classifier. The allowed names are defined above.