Reaction Mechanism Generator Documentation

Reaction Mechanism Generator (RMG) is an automatic chemical reaction mechanism generator that constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react.

This documentation site if for the newer Python version of RMG called RMG-Py. It is developed on GitHub as RMG-Py.

CanTherm is developed and distributed as part of RMG-Py, but can be used as a stand-alone application for Thermochemistry, Transition State Theory, and Master Equation chemical kinetics calculations.

RMG is free, open-source software, and is under active and ongoing development. If you are interested in assisting with or guiding its development, please let us know. Any issues, concerns, or comments can be posted to our Github issues page.

While you are free to use or modify RMG components as you wish, we would like to coordinate with you. Please contact Professor William H. Green, Professor Richard H. West, or the The RMG Development Team for further information.

Quick reference guide:

I want to... Resource
analyze models & search databases RMG website resources (no download needed)
make transition state theory calculations Run Cantherm with the Canterm User's Guide
create mechanisms automatically Download RMG with the RMG User's Guide
post an issue with RMG GitHub issues page
contribute to RMG project RMG developer's wiki

Parts of the documentation: