# RMG-Py

**Repository Path**: cjthermo/RMG-Py

## Basic Information

- **Project Name**: RMG-Py
- **Description**: No description available
- **Primary Language**: Unknown
- **License**: MIT
- **Default Branch**: master
- **Homepage**: None
- **GVP Project**: No

## Statistics

- **Stars**: 0
- **Forks**: 0
- **Created**: 2021-08-05
- **Last Updated**: 2024-07-26

## Categories & Tags

**Categories**: Uncategorized

**Tags**: None

## README

# <img align="top" src="https://raw.githubusercontent.com/ReactionMechanismGenerator/RMG-Py/master/documentation/source/_static/rmg-logo-small.png"> Reaction Mechanism Generator (RMG)

[![Build status](https://img.shields.io/travis/ReactionMechanismGenerator/RMG-Py/master.svg)](https://travis-ci.org/ReactionMechanismGenerator/RMG-Py)
[![Codecov report](https://img.shields.io/codecov/c/github/ReactionMechanismGenerator/RMG-Py/master.svg)](https://codecov.io/gh/ReactionMechanismGenerator/RMG-Py)
[![Codacy report](https://img.shields.io/codacy/grade/5c12cecf3d01400a92ea20e14ca0b880/master.svg)](https://www.codacy.com/app/ReactionMechanismGenerator/RMG-Py/dashboard)
[![GitHub release](https://img.shields.io/github/release/ReactionMechanismGenerator/RMG-Py.svg)](https://github.com/ReactionMechanismGenerator/RMG-Py/releases)
[![Anconda](https://img.shields.io/conda/v/rmg/rmg.svg)](https://anaconda.org/rmg/rmg)
[![Gitter](https://img.shields.io/gitter/room/ReactionMechanismGenerator/RMG-Py.svg)](https://gitter.im/ReactionMechanismGenerator/RMG-Py)
[![RMG Website](https://img.shields.io/website-up-down-green-red/http/rmg.mit.edu.svg?label=rmg%20website)](https://rmg.mit.edu/)

## Description
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 **Arkane**, the package for calculating thermodynamics, high-pressure-limit
rate coefficients, and pressure dependent rate coefficients from quantum chemical calculations.
Arkane is compatible with a variety of ab initio quantum chemistry software programs:
Gaussian, MOPAC, QChem, and MOLPRO.

## Source Code Repository
- [RMG Github Repository](https://github.com/ReactionMechanismGenerator/RMG-Py): contains the latest source code for RMG
- [RMG-database Github Repository](https://github.com/ReactionMechanismGenerator/RMG-database): contains source code for the latest version of the database

## How to Install
You can either download the source from GitHub and compile yourself, or download the binaries from Anaconda.
Please see the [Download and Install](http://reactionmechanismgenerator.github.io/RMG-Py/users/rmg/installation/index.html) page for detailed instructions.

## Documentation
- [RMG Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/rmg/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_and_Arkane_Documentation.pdf))
- [Arkane Documentation](http://ReactionMechanismGenerator.github.io/RMG-Py/users/arkane/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_and_Arkane_Documentation.pdf))
- [RMG API Reference](http://reactionmechanismgenerator.github.io/RMG-Py/reference/index.html) ([PDF version](https://github.com/ReactionMechanismGenerator/RMG-Py/raw/master/documentation/RMG-Py_API_Reference.pdf))

## How to Contribute
Please see the [Contributor Guidelines](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki/RMG-Contributor-Guidelines)
for details on how to contribute to RMG-Py or RMG-database.

## How to Give Feedback

Please post any issues you may have to the [issues page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/)
or drop in to the [chat room](https://gitter.im/ReactionMechanismGenerator/RMG-Py) or email [rmg_dev@mit.edu](mailto:rmg_dev@mit.edu) if you have questions.  

## Useful Links

- [Interactive Website](https://rmg.mit.edu): Visit this site to visualize RMG-generated models, view the databases, and 
perform thermodynamics and kinetics searches
- [Wiki](https://github.com/ReactionMechanismGenerator/RMG-Py/wiki): a wiki for developer notes
- [Issues Page](https://github.com/ReactionMechanismGenerator/RMG-Py/issues/): view current issues and feature requests

## Credits

- [Professor William H. Green's research group](http://cheme.scripts.mit.edu/green-group/) at the 
[Massachusetts Institute of Technology](http://web.mit.edu/) 
- [Professor Richard H. West's research group](http://www.northeastern.edu/comocheng/) at 
[Northeastern University](http://www.northeastern.edu/).