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#first-principles-calculations (1 Repositories)

Ranked open-source repositories tagged with #first-principles-calculations, scored by pull request acceptance likelihood and maintainer engagement velocity.

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1 repositories tagged #first-principles-calculations

D TierPython 339

mzjb/DeepH-pack

Deep neural networks for density functional theory Hamiltonian.

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Best First-principles-calculations Open Source Repositories & C-Rank™ | GetMerged