BespokeFit documentation

openff-bespokefit

targets

Classes

AbInitioTargetSchema	A model which stores information about an ab initio fitting target.
BaseTargetSchema	The base class for models which store information about fitting targets.
BespokeQCData[OptimizationTaskSpec]
BespokeQCData[Torsion1DTaskSpec]
LocalQCData[OptimizationResult]
LocalQCData[TorsionDriveResult]
OptGeoTargetSchema	A model which stores information about an optimized geometry fitting target.
R	alias of TypeVar('R', None, openff.bespokefit.schema.targets.LocalQCData[TorsionDriveResult], openff.bespokefit.schema.targets.LocalQCData[OptimizationResult], openff.bespokefit.schema.targets.BespokeQCData[Torsion1DTaskSpec], openff.bespokefit.schema.targets.BespokeQCData[OptimizationTaskSpec], openff.qcsubmit.results.results.OptimizationResultCollection, openff.qcsubmit.results.results.TorsionDriveResultCollection)
TorsionProfileTargetSchema	A model which stores information about a torsion profile fitting target.
VibrationTargetSchema	A model which stores information about a vibration fitting target.