PyPI
dials/dials
Diffraction Integration for Advanced Light Sources
BSD-3-Clause8. Sept. 2026 · Metriken 2.10.0
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#crystallography
Alle Repositories im öffentlichen Register, die dieses Tag tragen — aus ihren GitHub-Topics oder den von ihren Paket-Registries veröffentlichten Schlagwörtern. Die Gesundheit wird nach derselben versionierten Methodik gemessen wie im übrigen Register.
23 Einträge
PyPI · crates.io · npm
spglib/moyo
Library for Crystal Symmetry in Rust
Apache-2.020. Okt. 2026 · Metriken 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.
Eigene Lizenz5. Sept. 2026 · Metriken 2.10.0
PyPI · npm
project-gemmi/gemmi
macromolecular crystallography library and utilities
MPL-2.09. Sept. 2026 · Metriken 2.10.0
npm
chemistry/chemical-libraries
Common Chemical Libraries
MIT8. Sept. 2026 · Metriken 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
MIT16. Sept. 2026 · Metriken 2.10.0
PyPI
marinerhemant/MIDAS
The repository provides codes under the Microstructural Identification using Diffraction Analysis Software
Eigene Lizenz21. Okt. 2026 · Metriken 2.10.0
PyPI
peterspackman/chmpy
Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python
Eigene Lizenz19. Okt. 2026 · Metriken 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
Eigene Lizenz12. Sept. 2026 · Metriken 2.10.0
PyPI
SSCHAcode/CellConstructor
A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).
GPL-3.010. Sept. 2026 · Metriken 2.10.0
npm
CCP-NC/crystvis-js
A Three.js based crystallographic visualisation tool
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
gemmology-dev/crystal-geometry
3D geometry engine for crystals, twins, and habits
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
gemmology-dev/crystal-renderer
Crystal visualization (SVG, STL, glTF, GEMCAD export)
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
LaurentRDC/crystals
Data structures, algorithms, and parsing for crystallography
GPL-3.08. Sept. 2026 · Metriken 2.10.0
PyPI
N283T/view-cif
CLI tool to view CIF files from various sources in your editor
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
connorourke/crystal_torture
crystal_torture: A crystal structure analysis code, allowing site tortuosity to be calculated.
MIT8. Sept. 2026 · Metriken 2.10.0
npm
cheminfo/cif-to-json
Parse X-ray CIF format
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
rowlesmr/pdCIFplotter
A tool for plotting powder diffraction data from CIF files
Apache-2.08. Sept. 2026 · Metriken 2.10.0
npm
gemmimol/gemmimol
Macromolecular viewer for crystallographers (WebGL)
MIT8. Sept. 2026 · Metriken 2.10.0
PyPI
ccp4/dimple
:large_blue_diamond: MX pipeline. Refinement and ligand screening.
Apache-2.011. Sept. 2026 · Metriken 2.10.0
PyPI
rowlesmr/ciftostr
A small utility to convert crystal structures in CIF format to TOPAS STR format.
Eigene Lizenz8. Sept. 2026 · Metriken 2.10.0
PyPI
tilde-lab/pycrystal
Utilities for ab initio modeling suite CRYSTAL, developed in Turin University
Eigene Lizenz8. Sept. 2026 · Metriken 2.10.0
npm
stur86/crystvis-js
A Three.js based crystallographic visualisation tool
MIT18. Okt. 2026 · Metriken 2.10.0