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Nature Computational Science|August 26, 2025
Deep active optimization for complex systemsYe Wei, Bo Peng, Ruiwen Xie, et al.Nature Computational Science|November 4, 2021
Fast and accurate bootstrap confidence limits on genome-scale phylogenies using little bootstrapsSudip Sharma, Sudhir KumarNature Computational Science|October 31, 2022
Stochastic modeling of antibody binding predicts programmable migration on antigen patternsIan T Hoffecker, Alan Shaw, Viktoria Sorokina, et al.Nature Computational Science|December 28, 2024
A programmable environment for shape optimization and shapeshifting problemsChaitanya Joshi, Daniel Hellstein, Cole Wennerholm, et al.Nature Computational Science|March 25, 2025
Free-energy machine for combinatorial optimizationZi-Song Shen, Feng Pan, Yao Wang, et al.Nature Computational Science|December 5, 2024
Spin-symmetry-enforced solution of the many-body Schrödinger equation with a deep neural networkZhe Li, Zixiang Lu, Ruichen Li, et al.Nature Computational Science|December 20, 2024
Spatial modeling algorithms for reactions and transport in biological cellsEmmet A Francis, Justin G Laughlin, Jørgen S Dokken, et al.Nature Computational Science|December 9, 2024
Structure-based drug design with equivariant diffusion modelsArne Schneuing, Charles Harris, Yuanqi Du, et al.Nature Computational Science|November 6, 2024
Deep generative design of RNA aptamers using structural predictionsFelix Wong, Dongchen He, Aarti Krishnan, et al.Nature Computational Science|September 28, 2024
Traversing chemical space with active deep learning for low-data drug discoveryDerek van Tilborg, Francesca GrisoniPageof 46