Carnegie Mellon University; Fundamental AI Research (FAIR) at Meta
Nima Shoghi, Adeesh Kolluru, John Kitchin, Zachary Ulissi, Larry Zitnick, Brandon Wood
atomic property prediction;pre-training;3D atomic pre-training;graph neural networks;multi-task learning;molecules;materials
From Molecules to Materials: Pre-training Large Generalizable Models for Atomic Property Prediction