Stars
Honegumi (骨組み) is an interactive "skeleton code" generator for API tutorials focusing on optimization packages.
Software, data, and tools to accompany my American Ceramic Society workshop Tools for Visualizing and Understanding the Structure of Crystalline Ceramics
An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordination numbers from .cif files
The latest stable release for the crystal structure prediction code FUSE
Composition-based predictions for chemically novel, high-temperature superconductors.
Calculate atomic lattice plane densities in arbitrary crystal structures (CIF input) for arbitrary lattice planes (HKL indices).
A community-curated list of resources related to self-driving labs which combine hardware automation and artificial intelligence to accelerate scientific discovery.
MSE5540/6640 Materials Informatics course at the University of Utah
A toolkit for visualizations in materials informatics.
Software and instructions for setting up and running a self-driving lab (autonomous experimentation) demo using dimmable RGB LEDs, an 8-channel spectrophotometer, a microcontroller, and an adaptive…
Curated list of known efforts in materials informatics
sgbaird / CrabNet
Forked from anthony-wang/CrabNetPredict materials properties using only the composition information!
Repository hosting the content for my views and journey as a member of the Church of Jesus Christ of Latter-day Saints, a husband and father, and a scientist.
Machine learning guided optimal composition selection for high strength Niobium alloy
Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
Things that you should (and should not) do in your Materials Informatics research.
The Element Movers Distance for chemical composition similarity
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
Curated list of known efforts in materials informatics, i.e. in modern materials science