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Nature Computational Science|October 23, 2025
Discovering network dynamics with neural symbolic regressionZihan Yu, Jingtao Ding, Yong LiNature Computational Science|July 9, 2025
A large-scale replication of scenario-based experiments in psychology and management using large language modelsZiyan Cui, Ning Li, Huaikang ZhouNature Computational Science|June 30, 2025
Predicting adverse drug reactions for combination pharmacotherapy with cross-scale associative learning via attention modulesBoyang Li, Yifan Qi, Bo Li, et al.Nature Computational Science|June 18, 2025
A formally exact method for high-throughput absolute binding-free-energy calculationsHengwei Bian, Xueguang Shao, Christophe Chipot, et al.Nature Computational Science|June 4, 2025
Unified deep learning framework for many-body quantum chemistry via Green's functionsChristian Venturella, Jiachen Li, Christopher Hillenbrand, et al.Nature Computational Science|February 20, 2024
Automated discovery of algorithms from dataPaul J Blazek, Kesavan Venkatesh, Milo M LinNature Computational Science|February 20, 2024
Extracting, filtering and simulating cellular barcodes using CellBarcode toolsWenjie Sun, Meghan Perkins, Mathilde Huyghe, et al.Nature Computational Science|July 10, 2024
Structure-based prediction of T cell receptor recognition of unseen epitopes using TCRenVadim K Karnaukhov, Dmitrii S Shcherbinin, Anton O Chugunov, et al.Nature Computational Science|March 27, 2024
Machine learning-guided engineering of genetically encoded fluorescent calcium indicatorsSarah J Wait, Marc Expòsit, Sophia Lin, et al.Nature Computational Science|January 13, 2024
Population-scale identification of differential adverse events before and during a pandemicXiang Zhang, Marissa Sumathipala, Marinka ZitnikPageof 46