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How Do Graph Networks Generalize to Large and Diverse Molecular Systems?, , , , , , and . CoRR, (2022)The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis., , , , , , , , , and 3 other author(s). CoRR, (2022)An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage., , , , , , , , , and 7 other author(s). CoRR, (2020)Enabling robust offline active learning for machine learning potentials using simple physics-based priors., , , and . Mach. Learn. Sci. Technol., 2 (2): 25007 (2021)AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification., , , , , , , , , and 2 other author(s). J. Open Source Softw., 8 (87): 5035 (2023)The Open Catalyst Challenge 2021: Competition Report., , , , , , , , , and 15 other author(s). NeurIPS (Competition and Demos), volume 176 of Proceedings of Machine Learning Research, page 29-40. PMLR, (2021)Spherical Channels for Modeling Atomic Interactions., , , , , , , and . CoRR, (2022)AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning., , , , , , , , and . CoRR, (2022)GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets., , , , , , and . Trans. Mach. Learn. Res., (2022)The Open Catalyst 2020 (OC20) Dataset and Community Challenges., , , , , , , , , and 7 other author(s). CoRR, (2020)