Python version of the amazing Reaction Mechanism Generator (RMG).
Python Jupyter Notebook Other
Latest commit c5dadb8 Jan 15, 2017 @KEHANG KEHANG committed on GitHub Merge pull request #866 from ReactionMechanismGenerator/deterministic…

A more deterministic way of bicyclic decompostion
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documentation make underline long enough to have correct rendering Dec 19, 2016
examples Added the keepIrreversible option. Sep 15, 2016
external Remove Symmetry from external folder because it is now an anaconda pa… Jan 22, 2016
ipython Time integrated flux can be chosen for analysis Jan 6, 2017
rmgpy use getDeterministicSSSR in bicyclicDecomposition instead of the old … Jan 14, 2017
scripts fix the returned values from diff_models.execute Dec 21, 2016
testing described unused method Oct 11, 2016
.coveragerc Restore 'coverage' config file Dec 10, 2013
.gitignore Add ipython folder to gitignore except for .ipynb files Jun 16, 2016
.travis.yml change to stable miniconda Oct 27, 2016
COPYING.txt change copyright time stamp for new year Sep 16, 2016
Makefile add 'scoop' target in Makefile Apr 4, 2016 Add and move some badges in README Dec 17, 2016
bld.bat Save external packages to site-packages/external folder for windows b… Jan 22, 2016 Make anaconda build use official __version__ number Oct 18, 2015 memory logging is fixed Jul 24, 2016 make standard last commit msg for RMG-tests Oct 27, 2016
deploy_key.enc re-upload encrypted deploy key Feb 22, 2016
environment_linux.yml adds jupyter as one of RMG's denpendencies Jan 4, 2017
environment_mac.yml adds jupyter as one of RMG's denpendencies Jan 4, 2017
environment_windows.yml adds jupyter as one of RMG's denpendencies Jan 4, 2017
meta.yaml Add lpsolve55 to environment files and meta.yaml Dec 7, 2016
requirements.txt removed guppy dependency Oct 19, 2016 removed guppy dependency Oct 19, 2016 Modify so you can do eg. "build_ext main solver". Mar 16, 2016

Reaction Mechanism Generator (RMG)


This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatically generating chemical reaction mechanisms for modeling reaction systems including pyrolysis, combustion, atmospheric science, and more.

It also includes CanTherm, the package for calculating thermodynamics, high-pressure-limit rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations. CanTherm is compatible with a variety of ab initio quantum chemistry software programs, including but not limited to Gaussian, MOPAC, QChem, and MOLPRO.

Source Code Repository

Latest Stable Release

RMG v2.0.0 Anaconda-Server Badge

View the Release Notes.

How to Install

View the Download and Install page.


Alternatively, PDF versions of all the documentation can also be found in the documentation folder of the source code.


How to Give Feedback

Please post any issues you may have to the issues page or drop in to the chat room or email if you have questions.
Join the chat at

Useful Links

  • Interactive Website: Visit this site to visualize RMG-generated models, view the databases, and perform thermodynamics and kinetics searches
  • Wiki: a wiki for developer notes
  • Issues Page: view current issues and feature requests

Continuous Integration

We have a continuous integration build test suite which you can access at The current build status is Build Status