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
- RMG Github Repository: contains the latest source code for RMG
- RMG-database Github Repository: contains source code for the latest version of the database
Latest Stable Release
View the Release Notes.
How to Install
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.
How to Give Feedback
- 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