plot_convergence#

openfe.analysis.plotting.plot_convergence(forward_and_reverse: dict[str, typing.Union[numpy.ndarray[typing.Any, numpy.dtype[+_ScalarType_co]], pint.util.Quantity]], units: Quantity) → matplotlib.axes.Axes#

Plot a Reverse and Forward convergence analysis of the free energies.

Parameters:

  • forward_and_reverse (dict[str, npt.NDArray]) – A dictionary containing the reverse and forward values of the free energies sampled along a given fraction of the sample size.

  • units (unit.Quantity) – The units the free energies are provided in.

Returns:

ax – An Axes object to plot.

Return type:

matplotlib.axes.Axes