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GitHub / mzjb / DeepH-pack

Deep neural networks for density functional theory Hamiltonian.

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/mzjb%2FDeepH-pack

Stars: 182
Forks: 40
Open Issues: 9

License: lgpl-3.0
Language: Python
Repo Size: 674 KB
Dependencies: 14

Created: almost 2 years ago
Updated: 6 days ago
Last pushed: 6 days ago
Last synced: 5 days ago

Topics: ab-initio-simulations, deeph, density-functional-theory, dft, equivariant-network, first-principles-calculations, hamiltonian, julia, physics, pytorch

Files
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    Readme
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    Dependencies
    docs/requirements.txt pypi
    setup.py pypi