PyPI
dials/dials
Diffraction Integration for Advanced Light Sources
BSD-3-ClauseSep 8, 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.
23 records
PyPI · crates.io · npm
spglib/moyo
Library for Crystal Symmetry in Rust
Apache-2.0Oct 20, 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-2.0Sep 9, 2026 · metrics 2.10.0
npm
chemistry/chemical-libraries
Common Chemical Libraries
MITSep 8, 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
MITSep 16, 2026 · metrics 2.10.0
PyPI
marinerhemant/MIDAS
The repository provides codes under the Microstructural Identification using Diffraction Analysis Software
Custom licenseOct 21, 2026 · metrics 2.10.0
PyPI
peterspackman/chmpy
Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
Custom licenseOct 19, 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 licenseSep 12, 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-3.0Sep 10, 2026 · metrics 2.10.0
npm
CCP-NC/crystvis-js
A Three.js based crystallographic visualisation tool
MITSep 8, 2026 · metrics 2.10.0
PyPI
gemmology-dev/crystal-geometry
3D geometry engine for crystals, twins, and habits
MITSep 8, 2026 · metrics 2.10.0
PyPI
gemmology-dev/crystal-renderer
Crystal visualization (SVG, STL, glTF, GEMCAD export)
MITSep 8, 2026 · metrics 2.10.0
PyPI
LaurentRDC/crystals
Data structures, algorithms, and parsing for crystallography
GPL-3.0Sep 8, 2026 · metrics 2.10.0
PyPI
N283T/view-cif
CLI tool to view CIF files from various sources in your editor
MITSep 8, 2026 · metrics 2.10.0
PyPI
connorourke/crystal_torture
crystal_torture: A crystal structure analysis code, allowing site tortuosity to be calculated.
MITSep 8, 2026 · metrics 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MITSep 8, 2026 · metrics 2.10.0
PyPI
rowlesmr/pdCIFplotter
A tool for plotting powder diffraction data from CIF files
Apache-2.0Sep 8, 2026 · metrics 2.10.0
npm
gemmimol/gemmimol
Macromolecular viewer for crystallographers (WebGL)
MITSep 8, 2026 · metrics 2.10.0
PyPI
ccp4/dimple
:large_blue_diamond: MX pipeline. Refinement and ligand screening.
Apache-2.0Sep 11, 2026 · metrics 2.10.0
PyPI
rowlesmr/ciftostr
A small utility to convert crystal structures in CIF format to TOPAS STR format.
Custom licenseSep 8, 2026 · metrics 2.10.0
PyPI
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Custom licenseSep 8, 2026 · metrics 2.10.0
npm
stur86/crystvis-js
A Three.js based crystallographic visualisation tool
MITOct 18, 2026 · metrics 2.10.0