PyPI
dials/dials
Diffraction Integration for Advanced Light Sources
BSD-3-ClauseJul 15, 2026 · metrics 2.10.0
All tags
Catalogue tag
#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.
21 records
PyPI · crates.io · npm
spglib/moyo
Library for Crystal Symmetry in Rust
Apache-2.0Aug 22, 2026 · metrics 2.10.0
npm · PyPI
mat3ra/made
Materials Design library. A JavaScript/TypeScript and Python library allowing for the creation and manipulation of material structures from atoms up.
Custom licenseSep 5, 2026 · metrics 2.10.0
PyPI · npm
project-gemmi/gemmi
macromolecular crystallography library and utilities
MPL-2.0Jul 17, 2026 · metrics 2.10.0
PyPI
marinerhemant/MIDAS
The repository provides codes under the Microstructural Identification using Diffraction Analysis Software
Custom licenseAug 30, 2026 · metrics 2.10.0
PyPI
materialscloud-org/seekpath
A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
Custom licenseJul 21, 2026 · metrics 2.10.0
PyPI
abhishektiwari/hbat
HBAT 2: A Python Package to analyse Hydrogen Bonds and Other Non-covalent Interactions in Macromolecular Structures https://hbat-web.abhishek-tiwari.com
MITAug 2, 2026 · metrics 2.10.0
PyPI
SSCHAcode/CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
GPL-3.0Jul 17, 2026 · metrics 2.10.0
npm
ccp-nc/crystvis-js
A Three.js based crystallographic visualisation tool
MITJul 15, 2026 · metrics 2.10.0
PyPI
gemmology-dev/crystal-geometry
3D geometry engine for crystals, twins, and habits
MITJul 15, 2026 · metrics 2.10.0
PyPI
pdbeurope/investigations
This application is designed to create mmcif files from facilities data.
No licenseJul 15, 2026 · metrics 2.10.0
PyPI
gemmology-dev/crystal-renderer
Crystal visualization (SVG, STL, glTF, GEMCAD export)
MITJul 15, 2026 · metrics 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MITJul 15, 2026 · metrics 2.10.0
PyPI
n283t/view-cif
CLI tool to view CIF files from various sources in your editor
MITJul 15, 2026 · metrics 2.10.0
PyPI
connorourke/crystal_torture
crystal_torture: A crystal structure analysis code, allowing site tortuosity to be calculated.
MITJul 15, 2026 · metrics 2.10.0
npm
gemmimol/gemmimol
Macromolecular viewer for crystallographers (WebGL)
MITJul 15, 2026 · metrics 2.10.0
PyPI
laurentrdc/crystals
Data structures, algorithms, and parsing for crystallography
GPL-3.0Jul 15, 2026 · metrics 2.10.0
PyPI
CCP4/Dimple
:large_blue_diamond: MX pipeline. Refinement and ligand screening.
Apache-2.0Jul 18, 2026 · metrics 2.10.0
PyPI
rowlesmr/pdcifplotter
A tool for plotting powder diffraction data from CIF files
Apache-2.0Jul 15, 2026 · metrics 2.10.0
PyPI
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Custom licenseJul 15, 2026 · metrics 2.10.0
PyPI
rowlesmr/ciftostr
A small utility to convert crystal structures in CIF format to TOPAS STR format.
Custom licenseJul 15, 2026 · metrics 2.10.0