Metadata-Version: 2.1
Name: FastMBAR
Version: 0.0.9
Summary: A fast solver for large scale MBAR/UWHAM equations
Home-page: https://github.com/xqding/FastMBAR
Author: Xinqiang Ding
Author-email: xqding@umich.edu
License: MIT
Description: .. image:: https://travis-ci.org/xqding/FastMBAR.svg?branch=master
            :target: https://travis-ci.org/xqding/FastMBAR
        
            
        FastMBAR: A Fast Solver for Large Scale MBAR/UWHAM Equations
        ============================================================
        
        The multistate Bennett acceptance ratio (MBAR) and unbinned weighted histogram analysis method (UWHAM) are
        widely used approaches to calculate free energies of multiple thermodynamical states.
        MBAR/UWHAM has several advantages comparing to the traditional WHAM method and 
        is routinely used in alchemical free energy calculations, umbrella sampling, and
        temperature/Hamiltonian replica exchange simulations to calculate relative free engines and potentials of mean force (PMF).
        
        `FastMBAR` is a solver written in Python to solve large scale MBAR/UWHAM equations.
        It can use both CPUs and GPUs.
        To learn more about `FastMBAR`, please read the documentations at https://fastmbar.readthedocs.io
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Description-Content-Type: text/x-rst
