estimators#

Estimators#

Estimators compute absolute free energy values from a set of relative measurements stored in an FEMap.

Classes

Estimator

Abstract base class for free-energy estimators.

EstimatorResult

Simple base class for estimator results with provenance fields.

MLEEstimator

Maximum-likelihood estimator (MLE) for absolute free energies.

MLEEstimatorResult

Results data produced by MLEEstimator.

TYPE_CHECKING

Returns True when the argument is true, False otherwise.