implicit_solvent_ddm.pandasmbar

Functions to make applying pyMBAR to Pandas DataFrames easier.

Functions

detect_equilibration(df[, nskip])	Apply pyMBAR equilibration detection of time series to a DataFrame.
mbar(df[, groupby, solver_protocol])	Applies mbar() to grouped or ungrouped data.
subsample_correlated_data(df[, equil_info, ...])	Apply pyMBAR subsampling of time series to a DataFrame.