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fhh2626 authored Sep 12, 2021
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# Binding Free Energy Estimator 2
[![DOI](https://zenodo.org/badge/322234705.svg)](https://zenodo.org/badge/latestdoi/322234705)

Binding free energy estimator (BFEE) is a python-based software that automates absolute binding free energy calculations through either the alchemical or geometric route by molecular dynamics simulations.<br>

## Theoretical backgrounds
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