Automatic workflow ================== Though **alchemlyb** is a library offering great flexibility in deriving free energy estimate, it also provides workflows that provides automatic analysis of the results and step-by-step version that allows more flexibility. For developers, the skeleton of the workflow should follow the example in :class:`alchemlyb.workflows.base.WorkflowBase`. For users, **alchemlyb** offers a workflow :class:`alchemlyb.workflows.ABFE` similar to `Alchemical Analysis `_ for doing automatic absolute binding free energy (ABFE) analysis. .. currentmodule:: alchemlyb.workflows .. autosummary:: :toctree: workflows base ABFE