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Sun Yat-sen University
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dftio
dftio PublicForked 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.
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DeepH-pack
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Deep neural networks for density functional theory Hamiltonian.
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abacus-develop
abacus-develop PublicForked from deepmodeling/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
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DeePTB
DeePTB PublicForked from deepmodeling/DeePTB
DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.
Python
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