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Nature Computational Science|March 27, 2023
Single-cell manifold-preserving feature selection for detecting rare cell populationsShaoheng Liang, Vakul Mohanty, Jinzhuang Dou, et al.Nature Computational Science|January 28, 2025
Multimodal learning for mapping genotype-phenotype dynamicsFarhan Khodaee, Rohola Zandie, Elazer R EdelmanNature Computational Science|November 11, 2024
MassiveFold: unveiling AlphaFold's hidden potential with optimized and parallelized massive samplingNessim Raouraoua, Claudio Mirabello, Thibaut Véry, et al.Nature Computational Science|November 8, 2024
A deep learning approach for rational ligand generation with toxicity control via reactive building blocksPengyong Li, Kaihao Zhang, Tianxiao Liu, et al.Nature Computational Science|March 21, 2025
Quantifying associations between socio-spatial factors and cognitive development in the ABCD cohortNicole Osayande, Justin Marotta, Shambhavi Aggarwal, et al.Nature Computational Science|October 11, 2024
Reliable deep learning in anomalous diffusion against out-of-distribution dynamicsXiaochen Feng, Hao Sha, Yongbing Zhang, et al.Nature Computational Science|July 19, 2024
Overcoming data scarcity in biomedical imaging with a foundational multi-task modelRaphael Schäfer, Till Nicke, Henning Höfener, et al.Nature Computational Science|July 9, 2024
Free-form and multi-physical metamaterials with forward conformality-assisted tracingLiujun Xu, Gaole Dai, Fubao Yang, et al.Nature Computational Science|May 10, 2024
MISATO: machine learning dataset of protein-ligand complexes for structure-based drug discoveryTill Siebenmorgen, Filipe Menezes, Sabrina Benassou, et al.Nature Computational Science|May 23, 2024
Designing semiconductor materials and devices in the post-Moore era by tackling computational challenges with data-driven strategiesJiahao Xie, Yansong Zhou, Muhammad Faizan, et al.Pageof 46