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#computational-materials-science

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.

4 records
Tagged “computational-materials-science”Ranked by health index
PyPI
91Excellenthealth index
Quantum-Accelerators/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
Python★ 291↓ 6,940/moSep 18, 2026
BSD-3-ClauseSep 18, 2026 · metrics 2.10.0
PyPI
73Goodhealth index
molssi-seamm/seamm
The core of the SEAMM environment and graphical interface.
Python★ 17↓ 5,304/moOct 19, 2026
LGPL-3.0Oct 19, 2026 · metrics 2.10.0
PyPI
67Goodhealth index
ryannduma/CrystaLyse.AI
Intelligent Scientific Agent for Materials Design
Python★ 24↓ 237/moSep 9, 2026
MITSep 9, 2026 · metrics 2.10.0
PyPI
65Goodhealth index
molssi-seamm/lammps_step
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Python★ 2↓ 2,504/moOct 11, 2026
Custom licenseOct 11, 2026 · metrics 2.10.0