gt4sd.properties package

Submodules:

Subpackages:

Summary

Reference

class PropertyPredictorRegistry[source]

Bases: object

A registry for property predictors.

__dict__ = mappingproxy({'__module__': 'gt4sd.properties', '__doc__': 'A registry for property predictors.', 'get_property_predictor_parameters_schema': <staticmethod(<function PropertyPredictorRegistry.get_property_predictor_parameters_schema>)>, 'get_property_predictor': <staticmethod(<function PropertyPredictorRegistry.get_property_predictor>)>, 'get_property_predictor_scorer': <staticmethod(<function PropertyPredictorRegistry.get_property_predictor_scorer>)>, 'list_available': <staticmethod(<function PropertyPredictorRegistry.list_available>)>, 'list_available_scorers': <staticmethod(<function PropertyPredictorRegistry.list_available_scorers>)>, '__dict__': <attribute '__dict__' of 'PropertyPredictorRegistry' objects>, '__weakref__': <attribute '__weakref__' of 'PropertyPredictorRegistry' objects>, '__annotations__': {}})
__doc__ = 'A registry for property predictors.'
__module__ = 'gt4sd.properties'
__weakref__

list of weak references to the object (if defined)

static get_property_predictor(name, parameters={})[source]
Return type

PropertyPredictor

static get_property_predictor_parameters_schema(name)[source]
Return type

Dict[str, Any]

static get_property_predictor_scorer(property_name, scorer_name, target, parameters={})[source]

Get a property predictor scorer.

Parameters

  • property_name (str) – name of the property to score.

  • scorer_name (str) – name of the scorer to use.

  • target (float) – target score that will be used to get the distance to the score of a molecule or protein (not be confused with parameters[“target”]).

  • parameters (Dict[str, Any]) – parameters for the scoring function.

Return type

PropertyPredictorScorer

Returns

A property predictor scorer.

static list_available()[source]
Return type

List[str]

static list_available_scorers()[source]
Return type

List[str]