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Crystal Structure Python Packages

Python packages with the GitHub topic crystal-structure. Sorted by relevance, with stars and monthly downloads.
hackingmaterials
robocrys

Automatic generation of crystal structure descriptions.

121K 134 35
LaurentRDC
crystals

Data structures, algorithms, and parsing for crystallography

7K 54 11
bjmorgan
hofmann

Ball-and-stick crystal structure viewer for Python. Publication-quality vector output (SVG, PDF) and trajectory animations (GIF, MP4) via matplotlib, with ASE and pymatgen interoperability.

2K 8 0
mpds-io
mpds-client

MPDS API client library in Python

532 6 4
anoopkcn
wyckoff

A package for working with Wyckoff positions in crystallography

409 3 0
tilde-lab
pycrystal

Utilities for ab initio modeling suite CRYSTAL

385 11 1
ExeQuantCode
artemis-materials

Fortran code for generating and predicting interfaces between two crystals.

210 11 0
crystalmaths
crystalmaths

Package for indexing the zone axis of a high res TEM image

107 2 0
tilde-lab
tilde

Materials informatics framework for ab initio data repositories

101 18 4
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