The Open Catalyst 2020 (OC20) Dataset and Community Challenges Paper • 2010.09990 • Published Oct 20, 2020
GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets Paper • 2204.02782 • Published Apr 6, 2022
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning Paper • 2211.16486 • Published Nov 29, 2022
Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models Paper • 2410.12771 • Published Oct 16, 2024 • 6