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.

Arkane 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)
create mechanisms automatically	Download and run RMG, see the RMG User's Guide
make transition state theory calculations	Download RMG and run Arkane, see the Arkane User's Guide
post an issue with RMG	GitHub issues page
contribute to RMG project	RMG developer's wiki

Parts of the documentation:

RMG User's Guide
how to get, install, and use RMG-Py

Arkane User's Guide
how to get, install, and use Arkane

Theory Guide
some of the theory behind RMG

API Reference
the RMG source code

General Index
all functions, classes, terms