Sampler stack

Samplers for driving sampling over conformations or chemical states.

ExpandedEnsembleSampler	Method of expanded ensembles sampling engine.
SAMSSampler	Self-adjusted mixture sampling engine.
MultiTargetDesign	Multi-objective design using self-adjusted mixture sampling with additional recursion steps that update target weights on the fly.
ProtonationStateSampler	Protonation state sampler with given fixed target probabilities for ligand in solvent.