endstate_correction.protocol

Provide functions for the endstate correction workflow.

Functions

Perform endstate correction using the provided protocol.

Classes

`AllProtocol`	Dataclass for running all protocols
`AllResults`	Dataclass for combined results of all protocols
`BSSProtocol`	This is a dataclass mimicking the BioSimSpace.Protocol.
`BaseProtocol`	Base class for all endstate correction protocols
`BaseResults`	Base class for all protocol results
`EquResults`	Equilibrium simulation-specific results
`FEPProtocol`	FEP-specific protocol
`FEPResults`	FEP-specific results
`NEQProtocol`	NEQ-specific protocol
`NEQResults`	Provides a dataclass containing the results of a protocol
`SMCProtocol`	SMC-specific protocol
`SMCResults`