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1. comocheng/bm_project comocheng/bm_project Public

   Scripts for BMA paper

   Jupyter Notebook 1

2. Cantera/cantera Cantera/cantera Public

   Chemical kinetics, thermodynamics, and transport tool suite

   C++ 847 424

3. comocheng/ChemCheck comocheng/ChemCheck Public

   PyCanChemAndYouCan2! A tool to check chemistry, in the form of chemkin and cantera files.

   Python 13 4

4. ReactionMechanismGenerator/RMG-Py ReactionMechanismGenerator/RMG-Py Public

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

   Python 530 260

5. comocheng/QE-scripts comocheng/QE-scripts Public

   This repository has the scripts to run Quantum Espresso (QE) for structure optimization and transition sate search with nudged elastic band(NEB), nudged elastic band climing image (NEB-CI) algorithm.

   Python