.. _alchemy: Alchemical factories ==================== :mod:`openmmtools.alchemy` contains factories for generating `alchemically-modified `_ versions of OpenMM `System `_ objects for use in alchemical free energy calculations. Absolute alchemical factories ----------------------------- Absolute alchical factories modify the ``System`` object to allow part of the system to be alchemically annihilated or decoupled. This is useful for computing free energies of transfer, solvation, or binding for small molecules. .. currentmodule:: openmmtools.alchemy .. autosummary:: :nosignatures: :toctree: api/generated/ AlchemicalFunction AlchemicalState AbsoluteAlchemicalFactory Relative alchemical factories ----------------------------- Coming soon!