RMG-Py (Reaction Mechanism Generator)
RMG-Py is a package for automatic construction of detailed chemical mechanisms. It is composed of cheminformatics modules for representing molecules and reactions, modules for estimating thermochemistry and kinetics using RMG-database, core modules for the mechanism generation algorithm, and various other utilities.
Latest Stable Version:
(Download and Install)
- Online Documentation
- PDF Documentation:
- RMG and Arkane User Guide (PDF download)
- Developer's API Reference (PDF download)
- Source code
- Issues page
- Developer wiki
Arkane (Automatic Reaction Kinetics And Network Exploration)
Arkane (previously known as CanTherm) is a package for computing thermodynamics and kinetics from quantum chemical calculation. It can perform traditional transition state theory calculations in addition to pressure dependent rate calculations. Arkane is bundled with the Python version of RMG. Please download RMG to automatically install Arkane and all its features.
Interactive website with database and utilities
Visit rmg.mit.edu or rmg.coe.neu.edu (mirrors, often with different versions) to visualize models, view the databases, and perform thermodynamics and kinetics searches.
The previous version of RMG, written in Java
The Java version of RMG is no longer in active development. We highly recommend using the latest version of RMG in Python to get the latest features.Latest Stable Version: 4.0.1