.. module:: alchemlyb.estimators .. _estimators: Using estimators to obtain free energies ======================================== Calculating free energy differences from raw alchemical data requires the use of some *estimator*. All estimators in **alchemlyb** conform to a common design pattern, with a form similar to that of estimators found in `scikit-learn `_. If you have familiarity with the usage of estimators in **scikit-learn**, then working with estimators in **alchemlyb** should be somewhat straightforward. **alchemlyb** provides implementations of many commonly-used estimators, which come in two varieties: TI-based and FEP-based. .. toctree:: :maxdepth: 2 estimators-ti estimators-fep