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  1. DeepH-pack-docs DeepH-pack-docs Public

    The documentation of DeepH-pack, the latest iteration of DeepH, unites all the preceding DeepH methodologies into a cohesive package. This advanced version has been meticulously rewritten with JAX,…

    Python 15

  2. DeepH-dock DeepH-dock Public

    DeepH-dock seamlessly integrates deep learning with first-principles calculations. It serves as a modular and extensible bridge, functioning both as the dedicated interface for the DeepH-pack suite…

    Python 25 2

  3. HopCP HopCP Public

    Your hope for large crystal systems!

    C++ 1

  4. HopTB/HopTB.jl HopTB/HopTB.jl Public

    Tight-binding package written in Julia

    Julia 62 13

  5. Qx80610702/DFT_plus_DMFT Qx80610702/DFT_plus_DMFT Public

    Fortran 1

  6. DeepH-workshop-tutorial DeepH-workshop-tutorial Public

    DeepH-Tutorial: Scalable Deep Learning for First-Principles Materials Computation

    3