Repositories list

• RMG-Py

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

  chemistrykineticschemistry-discovery+ 3pythonreactionsthermodynamics

  Python

  •

  Other

  •228•400•32•23•Updated Dec 3, 2024Dec 3, 2024

• ARC

  Public
  ARC - Automatic Rate Calculator

  automationreactionsthermodynamics+ 4quantum-chemistryarckinetic-modelingrate-coefficients

  Python

  •

  MIT License

  •22•43•78•29•Updated Dec 2, 2024Dec 2, 2024

• RMG-database

  Public
  The database of chemical parameters used with Reaction Mechanism Generator

  Python

  •139•97•85•40•Updated Dec 2, 2024Dec 2, 2024

• T3

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

  pythonautomationquantum-chemistry+ 3chemical-kineticskineticssensitivity-analysis

  Python

  •

  MIT License

  •5•13•27•16•Updated Nov 28, 2024Nov 28, 2024

• ReactionMechanismSimulator.jl

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

  chemistrykineticssimulator+ 2reactionsreactor

  Jupyter Notebook

  •

  MIT License

  •32•75•46•11•Updated Nov 24, 2024Nov 24, 2024

• RMG-website

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

  Python

  •

  Other

  •29•21•36•1•Updated Aug 14, 2024Aug 14, 2024

• AutoTST

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

  chemistrycombustionquantum-chemistry+ 1kinetics

  Python

  •

  Other

  •16•33•22•1•Updated Aug 13, 2024Aug 13, 2024

• ReactionMechanismGenerator.github.io

  Public
  Legacy Redirect Page for RMG-Py Documentation

  HTML

  •

  MIT License

  •0•0•0•0•Updated Aug 6, 2024Aug 6, 2024

• pyrms

  Public
  Python wrapper for the ReactionMechanismSimulator

  Python

  •

  MIT License

  •4•3•0•1•Updated Aug 4, 2024Aug 4, 2024

• PyDAS

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

  Fortran

  •6•7•0•0•Updated Jul 1, 2024Jul 1, 2024

• PyDQED

  Public
  A Python wrapper for the DQED constrained nonlinear optimization code

  Fortran

  •

  MIT License

  •4•2•0•0•Updated Jun 30, 2024Jun 30, 2024

• conda-recipes

  Public
  Anaconda conda build recipes for RMG dependencies

  Shell

  •4•0•0•0•Updated Jun 28, 2024Jun 28, 2024

• AutoFragmentModeling

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

  Jupyter Notebook

  •

  MIT License

  •3•3•0•1•Updated Jun 7, 2024Jun 7, 2024

• molecule

  Public
  RMG-Py's molecule submodule

  Python

  •

  Other

  •0•1•0•0•Updated May 9, 2024May 9, 2024

• RMG-tests

  Public archive
  Continous Integration Testing Platform for RMG-Py

  integration-testingregression-testing

  Shell

  •14•3•4•2•Updated Dec 8, 2023Dec 8, 2023

• RMGWorkshop2023

  Public
  RMG Workshop Questions

  0•0•0•0•Updated May 11, 2023May 11, 2023

• TS-GCN

  Public
  Jupyter Notebook

  •1•5•0•0•Updated Mar 5, 2023Mar 5, 2023

• pysolvation

  Public
  Python

  •0•4•0•0•Updated May 18, 2022May 18, 2022

• SoftwareCoordination

  Public
  A repo for coordinating cross-group software development efforts

  MIT License

  •0•3•0•0•Updated Mar 10, 2022Mar 10, 2022

• autoQM

  Public
  A Software for Large Scale Quantum Mechanic Calculations

  Python

  •

  MIT License

  •4•0•0•0•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

  •9•1•0•1•Updated Oct 2, 2021Oct 2, 2021

• DataDrivenEstimator

  Public
  A package of data driven estimators for thermochemistry and kinetics

  machine-learningconvolutional-neural-networksproperty-estimation

  Python

  •

  MIT License

  •10•3•2•0•Updated Oct 2, 2021Oct 2, 2021

• zmats

  Public
  A Z-matrix module written in Python

  python

  Python

  •

  MIT License

  •0•0•0•0•Updated Oct 2, 2021Oct 2, 2021

• RMG-logos

  Public
  Logos for the awesome Reaction Mechanism Generator

  TeX

  •

  Creative Commons Zero v1.0 Universal

  •0•0•0•0•Updated May 14, 2021May 14, 2021

• RMGWorkshop2021

  Public archive
  RMG Workshop Questions

  0•0•1•0•Updated Jan 15, 2021Jan 15, 2021

• RMG-Java

  Public archive
  The Java version of RMG: Reaction Mechanism Generator

  Java

  •

  MIT License

  •36•29•98•2•Updated Jan 30, 2016Jan 30, 2016