Catalogue tag

#quantum-chemistry

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.

7 records

Tagged “quantum-chemistry”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 · RubyGems

69Moderatehealth index

theochemui/eon

eOn v2 and beyond

C++ · Python★ 17↓ 112/moJul 17, 2026

BSD-3-ClauseJul 17, 2026 · metrics 1.13.0

—

66Moderatehealth index

grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

Fortran★ 818Jul 18, 2026

LGPL-3.0Jul 18, 2026 · metrics 1.13.0

PyPI

61Moderatehealth index

adc-connect/adcc

adcc: Seamlessly connect your program to ADC

Python · C++★ 41↓ 351/moJul 19, 2026

GPL-3.0Jul 19, 2026 · metrics 1.13.0

PyPI · npm

50Moderatehealth index

osscar-org/jupyterlab-cube

A cube file renderer for the JupyterLab.

TypeScript · Python★ 4↓ 263/moJul 15, 2026

BSD-3-ClauseJul 15, 2026 · metrics 1.13.0

PyPI

27Criticalhealth index

tilde-lab/aiida-crystal-dft

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University

Python★ 3↓ 314/moJul 20, 2026

MITJul 20, 2026 · metrics 1.13.0