@ReactionMechanismGenerator

Reaction Mechanism Generator

Developers of Reaction Mechanism Generator and associated software.

Pinned repositories

  1. RMG-Py

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

    Python 99 107

  2. RMG-database

    The database of chemical parameters used with Reaction Mechanism Generator

    Python 28 72

  3. RMG-website

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

    Python 12 16

  4. RMG-tests

    Continous Integration Testing Platform for RMG-Py

    Shell 1 11

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

    Python 99 107 Updated Aug 18, 2018
  • Continous Integration Testing Platform for RMG-Py

    Shell 1 11 Updated Aug 18, 2018
  • The database of chemical parameters used with Reaction Mechanism Generator

    Python 28 72 Updated Aug 15, 2018
  • AutoTST: A framework to perform automated transition state theory calculations

    Python 2 4 Updated Aug 14, 2018
  • A package of major data driven estimators for thermochemistry and kinetics

    Python 1 3 MIT Updated Aug 3, 2018
  • CSS MIT Updated Jul 16, 2018
  • A Django-powered website for Reaction Mechanism Generator (RMG)

    Python 12 16 Updated Jul 13, 2018
  • Anaconda conda build recipes for RMG dependencies

    Shell 3 Updated Jul 9, 2018
  • Collection of assorted scripts for common operations related to RMG, chemkin, cantera, cantherm etc

    Python 7 Updated Jul 9, 2018
  • An Automatic Fragment-based Modeling Tool for Large Chemical System

    Python 1 1 MIT Updated May 15, 2018
  • A Software for Large Scale Quantum Mechanic Calculations

    Python 2 MIT Updated Dec 14, 2017
  • A Python wrapper for the DASSL, DASPK, and DASKR differential algebraic system solvers

    Fortran 3 5 Updated Jan 31, 2016
  • A Python wrapper for the DQED constrained nonlinear optimization code

    Fortran 1 3 Updated Jan 31, 2016
  • The Java version of RMG: Reaction Mechanism Generator

    Java 27 35 MIT Updated Jan 30, 2016