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RMG-database - A chemistry database for RMG

Authors: Prof. William H. Green (whgreen@mit.edu), Prof. Richard H. West (r.west@neu.edu) and the RMG Team (rmg_dev@mit.edu)

This repository contains the database of chemical information used by Reaction Mechanism Generator (RMG) to determine the chemical parameters needed by its generated chemistry models.

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RMG-database with uncertainty quantification

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  • Python 98.6%
  • Jupyter Notebook 1.4%