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1. ard_gsm ard_gsm Public

   Automated reaction discovery and dataset generation with the growing string method

   Python 17 5

2. chemprop chemprop Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   HTML 5 2

3. RMG-Py RMG-Py Public

   Forked from ReactionMechanismGenerator/RMG-Py

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

   Python 1

4. RMG-database RMG-database Public

   Forked from ReactionMechanismGenerator/RMG-database

   The database of chemical parameters used with Reaction Mechanism Generator

   Python 1

5. bac bac Public

   Fit bond additivity corrections

   Python 1

6. reacdiff reacdiff Public

   Learning reaction models in reaction-diffusion systems

   Python 1 1