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1. deepmodeling/DeePTB deepmodeling/DeePTB Public

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

   Python 95 26

2. deepmodeling/dpnegf deepmodeling/dpnegf Public

   A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations

   Python 1 1

3. deepmodeling/dftio deepmodeling/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 13 8

4. DeePTB-Lab/dpnegf DeePTB-Lab/dpnegf Public

   A NEGF Python package compatible to DeePTB method for efficient quantum transport simulations

   Python 8 6