Catalogue tag

#electronic-structure

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

3 records

Tagged “electronic-structure”Ranked by health index

PyPI

84Goodhealth index

quantumlib/OpenFermion

Python package for compiling and analyzing quantum algorithms to simulate electronic structures.

Python★ 1,710Jul 18, 2026

Apache-2.0Jul 18, 2026 · metrics 1.13.0

PyPI

80Goodhealth index

QMCPACK/qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids with full performance portable GPU support

C++ · Python★ 394Jul 21, 2026

Custom licenseJul 21, 2026 · metrics 1.13.0

PyPI

78Goodhealth index

deepmodeling/abacus-develop

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

C++★ 280Jul 20, 2026

LGPL-3.0Jul 20, 2026 · metrics 1.13.0