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"Accurate transition state generation with an object-aware equivariant ..."

Chenru Duan et al. (2023)

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DOI: 10.1038/S43588-023-00563-7

access: closed

type: Journal Article

metadata version: 2024-05-07

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Chenru Duan, Yuanqi Du, Haojun Jia, Heather J. Kulik:
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model. Nat. Comput. Sci. 3(12): 1045-1055 (2023)

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