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|