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Python version of the amazing Reaction Mechanism Generator (RMG).
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Latest commit 643719b @connie connie RMG-Py v1.0.3 release
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documentation Update Release Notes and PDF documentation for v1.0.3
examples Add an example that uses filterReactions AND pdep at the same time
external Remove Symmetry from external folder because it is now an anaconda pa…
rmgpy Only update react flags and enlarge edge if there are new core specie…
scripts move merge_models to package
testing rename to
.coveragerc Restore 'coverage' config file
.gitignore Added QMscratch/* to .gitignore
.travis.yml move GIT_NAME, GIT_EMAIL to deploy script
COPYING.txt Edit main copyright stamps to reflect year change.
Makefile Remove -q quiet flags for eg5 and eg6 because they arent triggering .… Update to version 1.0.3
bld.bat Save external packages to site-packages/external folder for windows b… Make anaconda build use official __version__ number Change Process.get_memory_info() to Process.memory_info() in Cantherm. prepend rmgpy- to created branch name
deploy_key.enc decrypt deploy key in before_install stage
environment.yml Remove rdkit from referenced channels in environment.yml
environment_windows.yml Add pydas and pydqed back into environment_windows.yml
meta.yaml Add fix to meta.yaml for unit tests on unix
requirements.txt add pyzmq to requirements.txt (SCOOP dependency) use kwargs in rmg's initialize and execute functions Change url in to github homepage.

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 v1.0.3

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 email if you have questions.

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

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