EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations Paper • 2306.12059 • Published Jun 21, 2023 • 5
GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets Paper • 2204.02782 • Published Apr 6, 2022 • 1
The Open Catalyst 2020 (OC20) Dataset and Community Challenges Paper • 2010.09990 • Published Oct 20, 2020
AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning Paper • 2211.16486 • Published Nov 29, 2022