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Nature Computational Science|April 30, 2026
DeepSeMS: revealing the hidden biosynthetic potential of the global ocean microbiome with a large language modelTingjun Xu, Yuwei Yang, Ruixin Zhu, et al.Nature Computational Science|April 15, 2026
DualGPT-AB: a dual-stage generative optimization framework for therapeutic antibody designDongna Xie, Siyuan Chen, Xi Zeng, et al.Nature Computational Science|June 12, 2026
Transferable human mobility network reconstruction with neuroGravityJinming Yang, Shaoyu Huang, Zongyuan Huang, et al.Nature Computational Science|January 4, 2024
Current and future machine learning approaches for modeling atmospheric cluster formationJakub Kubečka, Yosef Knattrup, Morten Engsvang, et al.Nature Computational Science|July 1, 2026
Systematic bottom-up coarse-graining of hydrated excess proton transport across scalesJaehyeok Jin, Zhefu Li, Gregory A VothNature Computational Science|July 10, 2026
Empowering neural network-based quantum Monte Carlo with local pseudopotentialsWeizhong Fu, Ryunosuke Fujimaru, Ruichen Li, et al.Nature Computational Science|September 18, 2026
Large language models as human proxiesNikita Karetnikov, Iyad Rahwan, Davor SvetinovicNature Computational Science|September 10, 2026
Segment anything in pathology images with natural languageZhixuan Chen, Junlin Hou, Liqi Lin, et al.Nature Computational Science|March 24, 2022
Fast and effective protein model refinement using deep graph neural networksXiaoyang Jing, Jinbo XuNature Computational Science|January 2, 2026
Riemannian denoising model for molecular structure optimization with chemical accuracyJeheon Woo, Seonghwan Kim, Jun Hyeong Kim, et al.Pageof 46