Uses of Class
ffx.numerics.estimator.SequentialEstimator
Packages that use SequentialEstimator
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 SequentialEstimator in ffx.numerics.estimator
Subclasses of SequentialEstimator in ffx.numerics.estimatorModifier 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 Zwanzig class implements exponential averaging/free energy perturbation using the Zwanzig relationship, in either the forwards or backwards direction (not both).