A toolkit for visualizations in materials informatics.

Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.

Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.

The Element Movers Distance for chemical composition similarity

FTCP code

The latest stable release for the crystal structure prediction code FUSE

An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordination numbers from .cif files

Software, data, and tools to accompany my American Ceramic Society workshop Tools for Visualizing and Understanding the Structure of Crystalline Ceramics

Predict materials properties using only the composition information!