Uses of Interface
ffx.numerics.estimator.StatisticalEstimator
Packages that use StatisticalEstimator
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Uses of StatisticalEstimator in ffx.numerics.estimator
Subinterfaces of StatisticalEstimator in ffx.numerics.estimatorModifier and TypeInterfaceDescriptioninterface
The BootstrappableEstimator interface describes a StatisticalEstimator which can use bootstrap sampling as an additional method of calculating free energy and uncertainty.Classes in ffx.numerics.estimator that implement StatisticalEstimatorModifier and TypeClassDescriptionclass
The Bennett Acceptance Ratio class implements the Bennett Acceptance Ratio (BAR) statistical estimator, based on the Tinker implementation.class
The MultistateBennettAcceptanceRatio class defines a statistical estimator based on a generalization to the Bennett Acceptance Ratio (BAR) method for multiple lambda windows.class
The SequentialEstimator abstract class defines a statistical estimator based on perturbative potential energy differences between adjacent windows (e.g. exponential free energy perturbation, Bennett Acceptance Ratio, etc).class
The Zwanzig class implements exponential averaging/free energy perturbation using the Zwanzig relationship, in either the forwards or backwards direction (not both).