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How Do Graph Networks Generalize to Large and Diverse Molecular Systems?, , , , , , и . CoRR, (2022)The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis., , , , , , , , , и 3 other автор(ы). CoRR, (2022)An Introduction to Electrocatalyst Design using Machine Learning for Renewable Energy Storage., , , , , , , , , и 7 other автор(ы). CoRR, (2020)Enabling robust offline active learning for machine learning potentials using simple physics-based priors., , , и . 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., , , , , , , , , и 2 other автор(ы). J. Open Source Softw., 8 (87): 5035 (2023)The Open Catalyst Challenge 2021: Competition Report., , , , , , , , , и 15 other автор(ы). NeurIPS (Competition and Demos), том 176 из Proceedings of Machine Learning Research, стр. 29-40. PMLR, (2021)Spherical Channels for Modeling Atomic Interactions., , , , , , , и . CoRR, (2022)AdsorbML: Accelerating Adsorption Energy Calculations with Machine Learning., , , , , , , , и . CoRR, (2022)GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets., , , , , , и . Trans. Mach. Learn. Res., (2022)The Open Catalyst 2020 (OC20) Dataset and Community Challenges., , , , , , , , , и 7 other автор(ы). CoRR, (2020)