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.

• RMG Github Repository: contains the latest source code for RMG
• RMG-database Github Repository: contains source code for the latest version of the database

RMG v2.0.0

View the Release Notes.

View the Download and Install page.

• RMG Documentation (PDF version)
• CanTherm Documentation (PDF version)
• RMG API Reference (PDF version)

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

• Professor William H. Green's research group at the Massachusetts Institute of Technology
• Professor Richard H. West's research group at Northeastern University.

Please post any issues you may have to the issues page or email rmg_dev@mit.edu if you have questions.

• 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

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