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Python version of the amazing Reaction Mechanism Generator (RMG).
Python Other

Merge pull request #424 from ReactionMechanismGenerator/reverseReactions

Carry over reversibility of library reactions in reaction libraries and seed mechanisms
latest commit 3fcbc6c2b0
@rwest rwest authored

README.md

RMG Py - Reaction Mechanism Generator (Python Version)

This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatically generating kinetic models of chemical reaction mechanisms, and related projects. RMG is developed primarily by researchers in Prof. William Green's research group at the Massachusetts Institute of Technology and Prof. Richard West's research group at Northeastern University.

The most official repository can be found on github and is located at https://github.com/ReactionMechanismGenerator/RMG-Py. Instructions on how to use RMG can be found in the Documentation including details on how to install RMG-Py and its numerous dependencies. PDF versions of the Documentation can also be found in the documentation folder of the source code.

We have a continuous integration build test suite which you can access at https://travis-ci.org/ReactionMechanismGenerator/RMG-Py The current build status is Build Status

Details of the (earlier established) Java version of RMG can be found on Sourceforge (although it too is developed here on github).

Please email rmg_dev@mit.edu if you have any questions.

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