schrodinger.application.transforms.scorers.property module

Scorer that surfaces existing structure properties.

class schrodinger.application.transforms.scorers.property.PropertyConfig(*, properties: list[typing.Annotated[str, AfterValidator(func=<function _number_property_validator at 0x7d07c41e58a0>)]])

Bases: BaseModel

Configuration for PropertyScorer.

model_config: ClassVar[ConfigDict] = {'frozen': True}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].

properties: list[typing.Annotated[str, AfterValidator(func=<function _number_property_validator at 0x7d07c41e58a0>)]]

class schrodinger.application.transforms.scorers.property.PropertyScorer(*, _config: pydantic.main.BaseModel | None = None, **kwargs)

Bases: BaseScorer

Score structures by properties already set on them.

Structures that carry every configured property pass through unchanged; structures missing any of them are dropped. This exposes properties computed elsewhere to the scoring pipeline without recomputing them.

SCORER_ID: str = 'property'

config_class

alias of PropertyConfig

getProperties() → set[str]

Returns:

The configured property names.