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Nature Computational Science|July 14, 2026
Generative model for information metamaterial designJunming Hou, Long Chen, Xuan Zheng, et al.Nature Computational Science|July 14, 2026
UniFFBench: evaluating universal machine learning force fields against experimental measurementsSajid Mannan, Vaibhav Bihani, Carmelo Gonzales, et al.Nature Computational Science|July 22, 2026
Cross-task, explainable and real-time decoding of human emotion states by integrating gray and white matter intracranial neural activityYuxiao Yang, Wenjun Chen, Yuyang Chen, et al.Nature Computational Science|August 26, 2026
Enhancing materials discovery with valence-constrained design in generative modelingMouyang Cheng, Weiliang Luo, Hao Tang, et al.Nature Computational Science|August 24, 2026
Self-rankings as a predictor of scientific impact beyond peer reviewBuxin Su, Natalie Collina, Garrett Wen, et al.Nature Computational Science|August 12, 2026
Robust generative transition-state models for unseen chemistrySamir Darouich, Jacob W Toney, Weiliang Luo, et al.Nature Computational Science|September 22, 2026
Algorithmic systems, human agency and the future of platform researchHoma Hosseinmardi, Upasana Dutta, David Rothschild, et al.Nature Computational Science|October 9, 2026
Advancing chemical reaction prediction in data-scarce drug discovery with active and geometric deep learningMason Minot, Yannick Stenzhorn, Jens Wolfard, et al.Nature Computational Science|August 27, 2025
Digital Twin for Chemical Science: a case study on water interactions on the Ag(111) surfaceJin Qian, Asmita Jana, Siddarth Menon, et al.Nature Computational Science|September 17, 2021
Detecting context-dependent gene regulationEric R GamazonPageof 46