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  1. CH485---Artificial-Intelligence-and-Chemistry CH485---Artificial-Intelligence-and-Chemistry Public

    Forked from SeongokRyu/CH485---Artificial-Intelligence-and-Chemistry

    CH485 - Artificial Intelligence and Chemistry

    Jupyter Notebook 1 2

  2. pyiron-nist-workshop pyiron-nist-workshop Public

    Forked from pyiron-dev/pyiron-nist-workshop

    Jupyter Notebook 1

  3. cgcnn cgcnn Public

    Forked from txie-93/cgcnn

    Crystal graph convolutional neural networks for predicting material properties.

    Python 1

  4. gdynet gdynet Public

    Forked from txie-93/gdynet

    Unsupervised learning of atomic scale dynamics from molecular dynamics.

    Jupyter Notebook 1

  5. Graph-neural-networks Graph-neural-networks Public

    Forked from SeongokRyu/Graph-neural-networks

    Jupyter Notebook 1

  6. ACE-Team-DLstudy ACE-Team-DLstudy Public

    Forked from SeongokRyu/ACE-Team-DLstudy

    Study materials about "Deep Learning for Molecular Applications".

    Jupyter Notebook