alchemlyb.visualisation.plot_mbar_overlap_matrix

alchemlyb.visualisation.plot_mbar_overlap_matrix(matrix, skip_lambda_index=[], ax=None)

Plot the MBAR overlap matrix.

Parameters

• matrix (numpy.matrix) – DataFrame of the overlap matrix obtained from overlap_matrix

• skip_lambda_index (List) – list of lambda indices to be omitted from plotting process. Default: [].

• ax (matplotlib.axes.Axes) – Matplotlib axes object where the plot will be drawn on. If ax=None, a new axes will be generated.

Returns

An axes with the overlap matrix drawn.

Return type

matplotlib.axes.Axes

Note

The code is taken and modified from Alchemical Analysis.

New in version 0.4.0.