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    11 repositories

    • arxivbot

      Public
      ArXivBot implements GitHub Actions to fetch the latest papers from arXiv, utilizing LLMs for Deep Scan to generate expert-level insights. It supports notificati…
      Python
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jan 30, 2026Jan 30, 2026

    • TBSOC

      Public
      Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
      tight-bindingwannierspin-orbital-coupling
      Jupyter Notebook
      •
      GNU Lesser General Public License v3.0
      •7•27•0•0•Updated Jan 2, 2026Jan 2, 2026

    • TBoptc

      Public
      Optical spectra calculations for TB models (mainly designed for DeePTB model)
      Python
      •
      GNU Lesser General Public License v3.0
      •1•1•0•0•Updated Jan 1, 2026Jan 1, 2026

    • dpnegf

      Public
      A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations
      Python
      •
      GNU Lesser General Public License v3.0
      •5•9•1•3•Updated Dec 23, 2025Dec 23, 2025

    • dptb-pilot

      Public
      Python
      •1•0•0•0•Updated Dec 9, 2025Dec 9, 2025

    • dprep

      Public
      DPDispatcher REciPe for the Dataset PREParation of DeepTB
      Python
      •
      MIT License
      •0•0•0•0•Updated Dec 3, 2025Dec 3, 2025

    • dftio

      Public
      dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.
      Jupyter Notebook
      •
      MIT License
      •10•0•0•0•Updated Nov 26, 2025Nov 26, 2025

    • Recipes

      Public
      Tutorials for using packages in DeePTB-Lab
      Jupyter Notebook
      •
      GNU Lesser General Public License v2.1
      •1•0•0•0•Updated Nov 21, 2025Nov 21, 2025

    • Bysopt

      Public
      Python
      •0•0•0•0•Updated Sep 25, 2025Sep 25, 2025

    • DeePTB

      Public
      DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
      Python
      •
      GNU Lesser General Public License v3.0
      •27•0•0•0•Updated Jul 20, 2025Jul 20, 2025

    • abTEM

      Public
      ab initio Transmission Electron Microscopy
      Python
      •
      GNU General Public License v3.0
      •83•0•0•0•Updated Apr 28, 2025Apr 28, 2025