Reaction Mechanism Generator
Developers of Reaction Mechanism Generator and associated software.
Mostly MIT and Northeastern University, MA, USA
Pinned Repositories
ARC
ARC - Automatic Rate Calculator
AutoTST
AutoTST: A framework to perform automated transition state theory calculations
PyDAS
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
pyrms
Python wrapper for the ReactionMechanismSimulator
ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
RMG-Java
The Java version of RMG: Reaction Mechanism Generator
RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
T3
The Tandem Tool (T3) for automated chemical kinetic model development
Reaction Mechanism Generator's Repositories
ReactionMechanismGenerator/RMG-Py
Python version of the amazing Reaction Mechanism Generator (RMG).
ReactionMechanismGenerator/RMG-database
The database of chemical parameters used with Reaction Mechanism Generator
ReactionMechanismGenerator/ReactionMechanismSimulator.jl
The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms
ReactionMechanismGenerator/ARC
ARC - Automatic Rate Calculator
ReactionMechanismGenerator/AutoTST
AutoTST: A framework to perform automated transition state theory calculations
ReactionMechanismGenerator/RMG-Java
The Java version of RMG: Reaction Mechanism Generator
ReactionMechanismGenerator/RMG-website
A Django-powered website for Reaction Mechanism Generator (RMG)
ReactionMechanismGenerator/T3
The Tandem Tool (T3) for automated chemical kinetic model development
ReactionMechanismGenerator/PyDAS
A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers
ReactionMechanismGenerator/TS-GCN
ReactionMechanismGenerator/pysolvation
ReactionMechanismGenerator/AutoFragmentModeling
An Automatic Fragment-based Modeling Tool for Large Chemical System
ReactionMechanismGenerator/DataDrivenEstimator
A package of data driven estimators for thermochemistry and kinetics
ReactionMechanismGenerator/pyrms
Python wrapper for the ReactionMechanismSimulator
ReactionMechanismGenerator/RMG-tests
Continous Integration Testing Platform for RMG-Py
ReactionMechanismGenerator/SoftwareCoordination
A repo for coordinating cross-group software development efforts
ReactionMechanismGenerator/PyDQED
A Python wrapper for the DQED constrained nonlinear optimization code
ReactionMechanismGenerator/molecule
RMG-Py's molecule submodule
ReactionMechanismGenerator/Work-In-Progress_scripts
Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc
ReactionMechanismGenerator/autoQM
A Software for Large Scale Quantum Mechanic Calculations
ReactionMechanismGenerator/conda-recipes
Anaconda conda build recipes for RMG dependencies
ReactionMechanismGenerator/ReactionMechanismGenerator.github.io
Legacy Redirect Page for RMG-Py Documentation
ReactionMechanismGenerator/RMG-logos
Logos for the awesome Reaction Mechanism Generator
ReactionMechanismGenerator/RMGWorkshop2021
RMG Workshop Questions
ReactionMechanismGenerator/RMGWorkshop2023
RMG Workshop Questions
ReactionMechanismGenerator/zmats
A Z-matrix module written in Python