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Rotation Invariant Graph Neural Networks using Spin Convolutions.

M. Shuaibi, A. Kolluru, A. Das, A. Grover, A. Sriram, Z. Ulissi, and C. Zitnick. CoRR, (2021)

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Zachary Dotscheff

Zachary Evenson

Zachary Hayes

Zachary Taylor

Zachary J Evenson

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GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets.J. Gasteiger, M. Shuaibi, A. Sriram, S. Günnemann, Z. Ulissi, C. Zitnick, and A. Das. Trans. Mach. Learn. Res., (2022)The Open Catalyst 2020 (OC20) Dataset and Community Challenges.L. Chanussot, A. Das, S. Goyal, T. Lavril, M. Shuaibi, M. Riviere, K. Tran, J. Heras-Domingo, C. Ho, W. Hu and 7 other author(s). CoRR, (2020)Rotation Invariant Graph Neural Networks using Spin Convolutions.M. Shuaibi, A. Kolluru, A. Das, A. Grover, A. Sriram, Z. Ulissi, and C. Zitnick. CoRR, (2021)Spherical Channels for Modeling Atomic Interactions.L. Zitnick, A. Das, A. Kolluru, J. Lan, M. Shuaibi, A. Sriram, Z. Ulissi, and B. Wood. NeurIPS, (2022)The Open Catalyst 2022 (OC22) Dataset and Challenges for Oxide Electrocatalysis.R. Tran, J. Lan, M. Shuaibi, S. Goyal, B. Wood, A. Das, J. Heras-Domingo, A. Kolluru, A. Rizvi, N. Shoghi and 3 other author(s). CoRR, (2022)How Do Graph Networks Generalize to Large and Diverse Molecular Systems?J. Gasteiger, M. Shuaibi, A. Sriram, S. Günnemann, Z. Ulissi, C. Zitnick, and A. Das. CoRR, (2022)FINETUNA: fine-tuning accelerated molecular simulations.J. Musielewicz, X. Wang, T. Tian, and Z. Ulissi. Mach. Learn. Sci. Technol., 3 (3): 3 (September 2022)The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture.A. Sriram, S. Choi, X. Yu, L. Brabson, A. Das, Z. Ulissi, M. Uyttendaele, A. Medford, and D. Sholl. CoRR, (2023)Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials.Y. Hu, J. Musielewicz, Z. Ulissi, and A. Medford. Mach. Learn. Sci. Technol., 3 (4): 45028 (December 2022)Applying Large Graph Neural Networks to Predict Transition Metal Complex Energies Using the tmQM_wB97MV Data Set.A. Garrison, J. Heras-Domingo, J. Kitchin, G. dos Passos Gomes, Z. Ulissi, and S. Blau. J. Chem. Inf. Model., 63 (24): 7642-7654 (December 2023)

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Disambiguation of "Ulissi, Zachary W."

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Rotation Invariant Graph Neural Networks using Spin Convolutions.

Please choose a person to relate this publication to

Zachary Dotscheff

Zachary Evenson

Zachary Hayes

Zachary Taylor

Zachary J Evenson

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Ulissi, Zachary W."

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Rotation Invariant Graph Neural Networks using Spin Convolutions.

Please choose a person to relate this publication to

Zachary Dotscheff

Zachary Evenson

Zachary Hayes

Zachary Taylor

Zachary J Evenson

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
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URL
DOI
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Chicago
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Rotation Invariant Graph Neural Networks using Spin Convolutions.