This repository contains the Python version of Reaction Mechanism Generator (RMG), a tool for automatically generating kinetic models of chemical reaction mechanisms, and related projects. RMG is developed primarily by researchers in Prof. Green's research group at the Massachusetts Institute of Technology. Details can be found at Sourceforge or by emailing rmg_dev@mit.edu.
The current projects in this repository are:
- CanTherm - A tool for extracting useful information from quantum chemistry calculations
- ChemPy - A base library of common chemistry classes and functions
- RMG Database - A database of chemical knowledge used by RMG to determine thermodynamic and kinetic parameters for its models
- MEASURE - Master Equation Automatic Solver for Unimolecular REactions
- RMG - The main Reaction Mechanism Generator code
- StatesFit - A small library for fitting of vibrational modes to heat capacity data