Uses of Interface
ffx.numerics.estimator.StatisticalEstimator
Packages that use StatisticalEstimator
Package
Description
The Estimator package implements free energy estimators (e.g., Zwanzig, BAR/MBAR)
and related bootstrapping and reporting utilities.
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Uses of StatisticalEstimator in ffx.numerics.estimator
Subinterfaces of StatisticalEstimator in ffx.numerics.estimatorModifier and TypeInterfaceDescriptioninterfaceThe 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 TypeClassDescriptionclassThe Bennett Acceptance Ratio class implements the Bennett Acceptance Ratio (BAR) statistical estimator, based on the Tinker implementation.classThe MultistateBennettAcceptanceRatio class defines a statistical estimator based on a generalization to the Bennett Acceptance Ratio (BAR) method for multiple lambda windows.classThe 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).classThe Zwanzig class implements exponential averaging/free energy perturbation using the Zwanzig relationship, in either the forwards or backwards direction (not both).