How to use alchemlyb - 1 common examples
To help you get started, we’ve selected a few alchemlyb examples, based on popular ways it is used in public projects.
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Becksteinlab / MDPOW / mdpow / estimators / ti_.py View on Github 
import alchemlyb.estimators
import numpy as np
import pandas as pd
import numkit
class TI(alchemlyb.estimators.TI):
"""Thermodynamic integration (TI) estimator
Parameters
----------
verbose : bool, optional
Set to True if verbose debug output is desired.
Attributes
----------
delta_f_ : DataFrame
The estimated dimensionless free energy difference between each state.
d_delta_f_ : DataFrame
The estimated statistical uncertainty (one standard deviation) in
dimensionless free energy differences.
