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#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.

11 records
Tagged “materials-science”Ranked by health index
PyPI · RubyGems
86Excellenthealth index
materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
Python · Polar★ 1,926↓ 763.4K/moJul 18, 2026
Custom licenseJul 18, 2026 · metrics 1.13.0
PyPI
80Goodhealth index
hyperspy/hyperspy
Multidimensional data analysis
Python★ 576↓ 77.4K/moJul 14, 2026
GPL-3.0Jul 14, 2026 · metrics 1.13.0
npm · PyPI
75Goodhealth index
mat3ra/esse
JSON schemas and examples representing structural data, characteristic properties, modeling workflows and related data about materials standardizing the diverse landscape of information
Python★ 7↓ 4,633/moJul 15, 2026
Custom licenseJul 15, 2026 · metrics 1.13.0
npm
73Goodhealth index
janosh/matterviz
Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.
TypeScript · Svelte★ 351↓ 4,556/moJul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
crates.io · npm · PyPI
72Goodhealth index
spglib/moyo
Library for Crystal Symmetry in Rust
Rust★ 76↓ 1.3M/moJul 13, 2026
Apache-2.0Jul 13, 2026 · metrics 1.13.0
npm · PyPI
70Goodhealth index
mat3ra/made
Materials Design library. A JavaScript/TypeScript and Python library allowing for the creation and manipulation of material structures from atoms up.
Python · TypeScript★ 7↓ 3,820/moJul 15, 2026
Custom licenseJul 15, 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
46At riskhealth index
connorourke/crystal_torture
crystal_torture: A crystal structure analysis code, allowing site tortuosity to be calculated.
Python★ 8↓ 303/moJul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
PyPI
42At riskhealth index
laurentrdc/crystals
Data structures, algorithms, and parsing for crystallography
Python★ 56↓ 6,850/moJul 15, 2026
GPL-3.0Jul 15, 2026 · metrics 1.13.0
PyPI
38At riskhealth index
lgyEthan/v_ase
Visualisation tools for atomic simulations
JavaScript · Python★ 1↓ 3,848/moJul 23, 2026
MITJul 23, 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