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#crystallography

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.

19 records
Tagged “crystallography”Ranked by health index
PyPI
75Goodhealth index
dials/dials
Diffraction Integration for Advanced Light Sources
Python · C++★ 104Jul 15, 2026
BSD-3-ClauseJul 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 · npm
70Goodhealth index
project-gemmi/gemmi
macromolecular crystallography library and utilities
C++★ 364↓ 536.2K/moJul 17, 2026
MPL-2.0Jul 17, 2026 · metrics 1.13.0
PyPI
66Moderatehealth index
materialscloud-org/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Python★ 166↓ 534.3K/moJul 21, 2026
Custom licenseJul 21, 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
npm
54Moderatehealth index
ccp-nc/crystvis-js
A Three.js based crystallographic visualisation tool
JavaScript★ 1↓ 151/moJul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
PyPI
53Moderatehealth index
gemmology-dev/crystal-geometry
3D geometry engine for crystals, twins, and habits
Python★ 0↓ 484/moJul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
PyPI
50Moderatehealth index
gemmology-dev/crystal-renderer
Crystal visualization (SVG, STL, glTF, GEMCAD export)
Python★ 0Jul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
PyPI
50Moderatehealth index
pdbeurope/investigations
This application is designed to create mmcif files from facilities data.
Python★ 6↓ 1,071/moJul 15, 2026
No licenseJul 15, 2026 · metrics 1.13.0
PyPI
48At riskhealth index
n283t/view-cif
CLI tool to view CIF files from various sources in your editor
Python★ 0Jul 15, 2026
MITJul 15, 2026 · metrics 1.13.0
npm
47At riskhealth index
cheminfo/cif-to-json
Parse X-ray CIF format
JavaScript★ 0↓ 82/moJul 15, 2026
MITJul 15, 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
npm
42At riskhealth index
gemmimol/gemmimol
Macromolecular viewer for crystallographers (WebGL)
JavaScript · TypeScript★ 3↓ 305/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
39At riskhealth index
rowlesmr/pdcifplotter
A tool for plotting powder diffraction data from CIF files
Tcl · Python · Pawn★ 4↓ 286/moJul 15, 2026
Apache-2.0Jul 15, 2026 · metrics 1.13.0
PyPI
38At riskhealth index
CCP4/Dimple
:large_blue_diamond: MX pipeline. Refinement and ligand screening.
Python★ 6Jul 18, 2026
Apache-2.0Jul 18, 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
PyPI
33At riskhealth index
rowlesmr/ciftostr
A small utility to convert crystal structures in CIF format to TOPAS STR format.
Python★ 2↓ 321/moJul 15, 2026
Custom licenseJul 15, 2026 · metrics 1.13.0