Repositories list

• ARC

  Public
  ARC - Automatic Rate Calculator

  automationreactionsthermodynamics+ 4

  automationreactionsthermodynamicsquantum-chemistryarckinetic-modelingrate-coefficients

  Python

  •

  MIT License

  •2525 forks•5151 stars•9393 issues•7474 pull requests•Updated Sep 24, 2026Sep 24, 2026

• RMG-website

  Public
  A Django-powered website for Reaction Mechanism Generator (RMG)

  Python

  •

  Other

  •3030 forks•2222 stars•4141 issues•22 pull requests•Updated Sep 23, 2026Sep 23, 2026

• RMG-Py

  Public
  Python version of the amazing Reaction Mechanism Generator (RMG).

  pythonchemistryreactions+ 3

  pythonchemistryreactionsthermodynamicskineticschemistry-discovery

  Python

  •

  Other

  •261261 forks•530530 stars•2222 issues•1616 pull requests•Updated Sep 22, 2026Sep 22, 2026

• T3

  Public
  The Tandem Tool (T3) for automated chemical kinetic model development

  pythonautomationquantum-chemistry+ 3

  pythonautomationquantum-chemistrychemical-kineticskineticssensitivity-analysis

  Python

  •

  MIT License

  •77 forks•1414 stars•2929 issues•99 pull requests•Updated Sep 18, 2026Sep 18, 2026

• RMG-database

  Public
  The database of chemical parameters used with Reaction Mechanism Generator

  Python

  •161161 forks•129129 stars•9393 issues•5555 pull requests•Updated Sep 14, 2026Sep 14, 2026

• conda-recipes

  Public
  Anaconda conda build recipes for RMG dependencies

  Shell

  •44 forks•00 stars•00 issues•00 pull requests•Updated Sep 6, 2026Sep 6, 2026

• SoftwareCoordination

  Public
  A repo for coordinating cross-group software development efforts

  MIT License

  •00 forks•33 stars•00 issues•00 pull requests•Updated Sep 6, 2026Sep 6, 2026

• RMG-benchmark

  Public
  Jupyter Notebook

  •

  MIT License

  •00 forks•11 star•00 issues•00 pull requests•Updated Aug 17, 2026Aug 17, 2026

• molecule

  Public
  RMG-Py's molecule submodule

  Python

  •

  Other

  •11 fork•11 star•00 issues•11 pull request•Updated Aug 12, 2026Aug 12, 2026

• ReactionMechanismSimulator.jl

  Public
  The amazing Reaction Mechanism Simulator for simulating large chemical kinetic mechanisms

  simulatorchemistryreactions+ 2

  simulatorchemistryreactionsreactorkinetics

  Jupyter Notebook

  •

  MIT License

  •3737 forks•9595 stars•4949 issues•1313 pull requests•Updated Jul 21, 2026Jul 21, 2026

• AutoTST

  Public
  AutoTST: A framework to perform automated transition state theory calculations

  chemistrycombustionquantum-chemistry+ 1

  chemistrycombustionquantum-chemistrykinetics

  Python

  •

  Other

  •1919 forks•5151 stars•2323 issues•22 pull requests•Updated Jul 14, 2026Jul 14, 2026

• ReactionMechanismGenerator.github.io

  Public
  Legacy Redirect Page for RMG-Py Documentation

  HTML

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Aug 6, 2024Aug 6, 2024

• pyrms

  Public
  Python wrapper for the ReactionMechanismSimulator

  Python

  •

  MIT License

  •44 forks•33 stars•00 issues•11 pull request•Updated Aug 4, 2024Aug 4, 2024

• PyDAS

  Public
  A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers

  Fortran

  •66 forks•1010 stars•00 issues•00 pull requests•Updated Jul 1, 2024Jul 1, 2024

• PyDQED

  Public
  A Python wrapper for the DQED constrained nonlinear optimization code

  Fortran

  •

  MIT License

  •44 forks•22 stars•00 issues•00 pull requests•Updated Jun 30, 2024Jun 30, 2024

• AutoFragmentModeling

  Public archive
  An Automatic Fragment-based Modeling Tool for Large Chemical System

  Jupyter Notebook

  •

  MIT License

  •33 forks•33 stars•00 issues•11 pull request•Updated Jun 7, 2024Jun 7, 2024

• RMG-tests

  Public archive
  Continous Integration Testing Platform for RMG-Py

  integration-testingregression-testing

  integration-testingregression-testing

  Shell

  •1414 forks•33 stars•44 issues•22 pull requests•Updated Dec 8, 2023Dec 8, 2023

• RMGWorkshop2023

  Public
  RMG Workshop Questions

  00 forks•00 stars•00 issues•00 pull requests•Updated May 11, 2023May 11, 2023

• TS-GCN

  Public
  Jupyter Notebook

  •11 fork•55 stars•11 issue•00 pull requests•Updated Mar 5, 2023Mar 5, 2023

• pysolvation

  Public
  Python

  •00 forks•55 stars•00 issues•00 pull requests•Updated May 18, 2022May 18, 2022

• autoQM

  Public
  A Software for Large Scale Quantum Mechanic Calculations

  Python

  •

  MIT License

  •44 forks•00 stars•00 issues•00 pull requests•Updated Oct 2, 2021Oct 2, 2021

• Work-In-Progress_scripts

  Public
  Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc

  Python

  •99 forks•11 star•00 issues•11 pull request•Updated Oct 2, 2021Oct 2, 2021

• DataDrivenEstimator

  Public
  A package of data driven estimators for thermochemistry and kinetics

  machine-learningconvolutional-neural-networksproperty-estimation

  machine-learningconvolutional-neural-networksproperty-estimation

  Python

  •

  MIT License

  •1010 forks•33 stars•22 issues•00 pull requests•Updated Oct 2, 2021Oct 2, 2021

• zmats

  Public
  A Z-matrix module written in Python

  python

  python

  Python

  •

  MIT License

  •00 forks•00 stars•00 issues•00 pull requests•Updated Oct 2, 2021Oct 2, 2021

• RMG-logos

  Public
  Logos for the awesome Reaction Mechanism Generator

  TeX

  •

  Creative Commons Zero v1.0 Universal

  •00 forks•00 stars•00 issues•00 pull requests•Updated May 14, 2021May 14, 2021

• RMGWorkshop2021

  Public archive
  RMG Workshop Questions

  00 forks•00 stars•11 issue•00 pull requests•Updated Jan 15, 2021Jan 15, 2021

• RMG-Java

  Public archive
  The Java version of RMG: Reaction Mechanism Generator

  Java

  •

  MIT License

  •3636 forks•3131 stars•9898 issues•22 pull requests•Updated Jan 30, 2016Jan 30, 2016