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. RMG-Py (Reaction Mechanism Generator)
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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 Arkane (Automatic Reaction Kinetics And Network Exploration)download RMG to automatically install Arkane and all its features.
Visit Interactive website with database and utilitiesrmg.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 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. The previous version of RMG, written in Java
Latest Stable Version: 4.0.1