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Nature Computational Science|January 4, 2024
Using machine learning to go beyond potential energy surface benchmarking for chemical reactivityXingyi Guan, Joseph P Heindel, Taehee Ko, et al.
Nature Computational Science|January 4, 2024
Cellular harmonics for the morphology-invariant analysis of molecular organization at the cell surfaceHanieh Mazloom-Farsibaf, Qiongjing Zou, Rebecca Hsieh, et al.
Nature Computational Science|January 4, 2024
Unbiased organism-agnostic and highly sensitive signal peptide predictor with deep protein language modelJunbo Shen, Qinze Yu, Shenyang Chen, et al.
Nature Computational Science|January 4, 2024
Quantum embedding theories to simulate condensed systems on quantum computersChristian Vorwerk, Nan Sheng, Marco Govoni, et al.
Nature Computational Science|January 4, 2024
Evolving scattering networks for engineering disorderSunkyu Yu
Nature Computational Science|January 4, 2024
Batch-effect correction with sample remeasurement in highly confounded case-control studiesHanxuan Ye, Xianyang Zhang, Chen Wang, et al.
Nature Computational Science|January 4, 2024
Micro-level social structures and the success of COVID-19 national policiesQingtao Cao, Babak Heydari
Nature Computational Science|January 4, 2024
Predicting binding motifs of complex adsorbates using machine learning with a physics-inspired graph representationWenbin Xu, Karsten Reuter, Mie Andersen
Nature Computational Science|January 4, 2024
Unifying pairwise interactions in complex dynamicsOliver M Cliff, Annie G Bryant, Joseph T Lizier, et al.
Nature Computational Science|December 20, 2023
Large-scale correlation network construction for unraveling the coordination of complex biological systemsMartin Becker, Huda Nassar, Camilo Espinosa, et al.
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