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  1. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

    Python 1

  2. abTEM abTEM Public

    Forked from abTEM/abTEM

    ab initio Transmission Electron Microscopy

    Jupyter Notebook 1

  3. PotentialForHEA PotentialForHEA Public

    Forked from Shiliang2333/PotentialForHEA

    收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.

    C++ 1

  4. megnet megnet Public

    Forked from materialsvirtuallab/megnet

    Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

    Python

  5. cgcnn cgcnn Public

    Forked from txie-93/cgcnn

    Crystal graph convolutional neural networks for predicting material properties.

    Python

  6. Python-100-Days Python-100-Days Public

    Forked from jackfrued/Python-100-Days

    Python - 100天从新手到大师

    Jupyter Notebook