An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage Paper β’ 2010.09435 β’ Published Oct 14, 2020
The Open Molecules 2025 (OMol25) Dataset, Evaluations, and Models Paper β’ 2505.08762 β’ Published May 13, 2025 β’ 4
The Open Catalyst 2020 (OC20) Dataset and Community Challenges Paper β’ 2010.09990 β’ Published Oct 20, 2020
GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets Paper β’ 2204.02782 β’ Published Apr 6, 2022 β’ 1
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning Paper β’ 2211.16486 β’ Published Nov 29, 2022
Open Materials 2024 (OMat24) Inorganic Materials Dataset and Models Paper β’ 2410.12771 β’ Published Oct 16, 2024 β’ 7