Uses of Package
ffx.numerics.estimator

Packages that use ffx.numerics.estimator
Package
Description
 
  • Class
    Description
    The Bennett Acceptance Ratio class implements the Bennett Acceptance Ratio (BAR) statistical estimator, based on the Tinker implementation.
    The BootstrappableEstimator interface describes a StatisticalEstimator which can use bootstrap sampling as an additional method of calculating free energy and uncertainty.
    The MultistateBennettAcceptanceRatio class defines a statistical estimator based on a generalization to the Bennett Acceptance Ratio (BAR) method for multiple lambda windows.
    Enum of MBAR seed types.
    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).
    The StatisticalEstimator interface defines a free energy estimator in the most generic sense.
    The Zwanzig class implements exponential averaging/free energy perturbation using the Zwanzig relationship, in either the forwards or backwards direction (not both).
    Directionality of the Zwanzig estimation (forwards perturbation or backwards perturbation).