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1. 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

2. DeepH-pack DeepH-pack Public

   Forked from mzjb/DeepH-pack

   Deep neural networks for density functional theory Hamiltonian.

   Python

3. abacus-develop abacus-develop Public

   Forked from abacusmodeling/abacus-develop

   An electronic structure package based on either plane wave basis or numerical atomic orbitals.

   C++