https://github.com/craabreu/mics

A friendly Python library for multistate analysis with MICS and MBAR
https://github.com/craabreu/mics

free-energy mixture-model molecular-dynamics monte-carlo multistate-bennett-acceptance-ratio statistics

Last synced: 9 months ago
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A friendly Python library for multistate analysis with MICS and MBAR

• Host: GitHub
• URL: https://github.com/craabreu/mics
• Owner: craabreu
• License: mit
• Created: 2017-10-11T21:46:13.000Z (over 8 years ago)
• Default Branch: master
• Last Pushed: 2019-02-03T05:28:21.000Z (over 7 years ago)
• Last Synced: 2024-09-09T11:03:20.469Z (almost 2 years ago)
• Topics: free-energy, mixture-model, molecular-dynamics, monte-carlo, multistate-bennett-acceptance-ratio, statistics
• Language: Python
• Homepage:
• Size: 403 KB
• Stars: 7
• Watchers: 2
• Forks: 1
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • Contributing: docs/contributing.rst
  • License: LICENSE

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README

          
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Overview

========

A friendly Python library for multistate analysis with MICS and MBAR.

MICS = [Mixture of Independently Collected Samples]()

MBAR = [Multistate Bennett Acceptance Ratio](https://aip.scitation.org/doi/10.1063/1.2978177)

* Free software: MIT license

Documentation

=============

https://mics.readthedocs.io/en/latest