materialsproject/matbench

Data mining for materials science

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

MACE foundation models (MP, OMAT, mh-1)

Foundation Model for Materials - FM4M

Graph deep learning library for materials

FAIR Chemistry's library of machine learning methods for chemistry

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

An End-to-End Deep Learning Toolkit for Materials Science