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#ab-initio

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 “ab-initio”Ranked by health index
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
PyPI
54Moderatehealth index
SSCHAcode/CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
Python · Fortran★ 26↓ 515/moJul 17, 2026
GPL-3.0Jul 17, 2026 · metrics 1.13.0
PyPI
34At riskhealth index
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Python★ 11↓ 427/moJul 15, 2026
Custom licenseJul 15, 2026 · metrics 1.13.0