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From prediction to discovery: AI as an observatory of physical organization in protein space
Yuxiang Zheng, Zecheng Zhang, Yuxiao Wang, Wenbin Kang, Weitong Ren, Qian-Yuan Tang
2026, 2(3): 032001. DOI: 10.1088/3050-287X/ae78ea
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Intelligent design of metamaterials for magnetic resonance imaging: a review
Yuxuan Han, Jingda Wen, Qi Sun, Hao Wang, Qian Zhao, Jingquan Liu
2026, 2(3): 032002. DOI: 10.1088/3050-287X/ae9c5d
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Machine-learned structural order and the Lindemann criterion
Han Chen, Hanyu Xue
2026, 2(3): 035001. DOI: 10.1088/3050-287X/ae97fa
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Data-driven graph neural networks guide codoping for stable Ni-rich layered cathodes
Mengyu Tian, Yang Li, Zhewen Xu, Xuejie Huang
2026, 2(3): 035002. DOI: 10.1088/3050-287X/ae9d9b
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THEMol dataset: torsion, Hessian, and energy of molecules
Jiashu Liang, Tianze Zheng, Yu Xia, Xingyuan Xu, Xu Han, Zhi Wang, Siyuan Liu, Ailun Wang, Yu Liu, Shiqian Tan, Dongfei Liu, Zhichen Pu, Yuanheng Wang, Qiming Sun, Xiaojie Wu, Wen Yan
2026, 2(3): 035004. DOI: 10.1088/3050-287X/ae9e52
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AtomFlow: generative prediction of chemical reactions in 3D space
Enji Li, Siyu Hu, Xiao Tian, Wentao Zhang, Tao Liu, Linwang Wang, Weile Jia
2026, 2(3): 035003. DOI: 10.1088/3050-287X/ae9e53
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PhononBench:a large-scale phonon-based benchmark for dynamical stability in crystal generation
Xiao-Qi Han, Ze-Feng Gao, Wen-Kao Li, Peng-Jie Guo, Zhong-Yi Lu
2026, 2(3): 035005. DOI: 10.1088/3050-287X/ae9ee4
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