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#atomistic-simulations

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 “atomistic-simulations”Ranked by health index
—
77Goodhealth index
grimme-lab/xtb
Semiempirical Extended Tight-Binding Program Package
Fortran★ 839Sep 11, 2026
LGPL-3.0Sep 11, 2026 · metrics 2.10.0
PyPI
53Moderatehealth index
tilde-lab/aiida-crystal-dft
AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
Python★ 3↓ 23/moSep 12, 2026
MITSep 12, 2026 · metrics 2.10.0
PyPI
24At Riskhealth index
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Python★ 11↓ 223/moSep 8, 2026
Custom licenseSep 8, 2026 · metrics 2.10.0