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1. reactive_active_learning reactive_active_learning Public

   This is an active learning framework that uses single-ended growing string method and neural networks to build machine learning forcefields that quickly understands reactive energy landscape.

   Jupyter Notebook 9

2. deepcdp deepcdp Public

   DeepCDP: Deep learning Charge Density Prediction.

   Jupyter Notebook 6 3

3. protonConduction_graphanol protonConduction_graphanol Public

   Documentation and discussion regarding the study of proton conduction in graphanol using deep learning potentials.

   Python 1 1

4. dynamicDRC dynamicDRC Public

   Degree of rate control

   Jupyter Notebook