RMG Py - Reaction Mechanism Generator (Python Version)

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

Name		Name	Last commit message	Last commit date
Latest commit History 2,333 Commits
documentation		documentation
examples		examples
external		external
rmgpy		rmgpy
unittest		unittest
.gitignore		.gitignore
COPYING.txt		COPYING.txt
Makefile		Makefile
README.rst		README.rst
cantherm.py		cantherm.py
convertFAME.py		convertFAME.py
diffModels.py		diffModels.py
generateFluxDiagram.py		generateFluxDiagram.py
generateReactions.py		generateReactions.py
importOldDatabase.py		importOldDatabase.py
measure.py		measure.py
pydas.pxd		pydas.pxd
rmg.py		rmg.py
setup.py		setup.py

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ajalan/RMG-Py

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RMG Py - Reaction Mechanism Generator (Python Version)

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