Enhancing geometric representations for molecules with equivariant vector-scalar interactive message passing
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DOI: 10.1038/s41467-023-43720-2
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- Taoyong Cui & Chenyu Tang & Dongzhan Zhou & Yuqiang Li & Xingao Gong & Wanli Ouyang & Mao Su & Shufei Zhang, 2025. "Online test-time adaptation for better generalization of interatomic potentials to out-of-distribution data," Nature Communications, Nature, vol. 16(1), pages 1-11, December.
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