Materials Discovery Python Packages

matbench-discovery

An evaluation framework for machine learning models simulating high-throughput materials discovery.

crabnet

Predict materials properties using only the composition information!

aviary-models

The Wren sits on its Roost in the Aviary.

mat-discover

A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.

evomatic

Evolutionary algorithm for development of alloy materials