relative_alchemical_network_planner

Module Attributes

PROTOCOL_GENERATOR

Mapping from a RFE protocol to the corresponding system generator

Classes

RBFEAlchemicalNetworkPlanner	Plan alchemical networks for Relative Binding Free Energy calculations.
RHFEAlchemicalNetworkPlanner	Plan alchemical networks for Relative Hydration Free Energy calculations.
RelativeAlchemicalNetworkPlanner	A simple strategy for executing a given protocol with mapper, mapping_scorers and networks for relative FE approaches.