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  1. deepcdp deepcdp Public

    DeepCDP: Deep learning Charge Density Prediction.

    Jupyter Notebook 6 3

  2. protonConduction_graphanol protonConduction_graphanol Public

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

    Python 1 1

  3. deepmd-kit deepmd-kit Public

    Forked from deepmodeling/deepmd-kit

    A deep learning package for many-body potential energy representation and molecular dynamics

    C++

  4. dynamicDRC dynamicDRC Public

    Degree of rate control

    Jupyter Notebook

  5. deepmodeling/dpgen deepmodeling/dpgen Public

    The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

    Python 317 176