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1. arkimede arkimede Public

   Automatic Reactions KInetic MEchanism DEsign.

   Python 4 5

2. mlps_finetuning mlps_finetuning Public

   Tools for the fine-tuning of machine learning potentials (MLPs).

   Python 1 1

3. ase_cantera_microkinetics ase_cantera_microkinetics Public

   Microkinetic modeling with Cantera using thermodynamic data calculated with ASE.

   Python 2 1

4. ase_ml_models ase_ml_models Public

   Machine Learning models applied to surface kinetics data from atomistic simulations.

   Python 1 2

5. catalyst_opt_tools catalyst_opt_tools Public

   Tools to optimize catalytic surfaces and maximize reaction rates.

   Python 1

6. wulffparticles wulffparticles Public

   Tools to create atomistic models of nanoparticles.

   Python 1 1