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1. DeePTB DeePTB Public

   Forked from deepmodeling/DeePTB

   DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.

   Python 1

2. dftio dftio Public

   Forked from deepmodeling/dftio

   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

3. dpnegf dpnegf Public

   [DEPRECATED] A NEGF Python package for quantum transport simulations. We have moved! Please go to: https://github.com/deepmodeling/dpnegf

   Python 15 5

4. TBoptc TBoptc Public

   Optical spectra calculations for TB models (mainly designed for DeePTB model)

   Python 1 1

5. dprep dprep Public

   DPDispatcher REciPe for the Dataset PREParation of DeepTB

   Python

6. TBSOC TBSOC Public

   Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.

   Jupyter Notebook 27 7