pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR) method.

Project description

Pymbar (https://simtk.org/home/pymbar) is a library that provides tools for optimally combining simulations from multiple thermodynamic states using maximum likelihood methods to compute free energies (normalization constants) and expectation values from all of the samples simultaneously.

Project details

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4.0.3

Mar 21, 2024

4.0.2

Aug 11, 2023

4.0.1

Jul 20, 2022

3.1.0

Oct 10, 2022

3.0.5

Jan 15, 2020

3.0.4

Nov 14, 2019

3.0.3

Sep 6, 2017

This version

3.0.2

Jun 29, 2017

3.0.dev3 pre-release

Dec 31, 2016

3.0dev3 pre-release

Dec 31, 2016

2.1.0-beta pre-release

Jun 10, 2014

2.0.1-beta pre-release

Aug 11, 2013

2.0beta pre-release

Aug 10, 2013

2.0.0-beta pre-release

Aug 11, 2013

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pymbar-3.0.2.tar.gz (80.4 kB view details)

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