Crystal Structure Python Packages

robocrys

Automatic generation of crystal structure descriptions.

crystals

Data structures, algorithms, and parsing for crystallography

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.

matvu

Automatic viewpoint optimization and visualization for materials structures.

pycrystal

Utilities for ab initio modeling suite CRYSTAL, developed in Turin University

mpds-client

MPDS API client library in Python

wyckoff

A package for working with Wyckoff positions in crystallography

artemis-materials

Fortran code for generating and predicting interfaces between two crystals.

tilde

Materials informatics framework for ab initio data repositories

crystalmaths

Identify zone axis from a high res TEM image

latticegraph-designer

PyQt based GUI tool which allows to visualize, design and export the lattice graph models.