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Nature Computational Science|March 12, 2024
Overcoming the barrier of orbital-free density functional theory for molecular systems using deep learningHe Zhang, Siyuan Liu, Jiacheng You, et al.Nature Computational Science|April 10, 2024
Deciphering cell types by integrating scATAC-seq data with genome sequencesYuansong Zeng, Mai Luo, Ningyuan Shangguan, et al.Nature Computational Science|April 9, 2024
SimuCell3D: three-dimensional simulation of tissue mechanics with cell polarizationSteve Runser, Roman Vetter, Dagmar IberNature Computational Science|February 27, 2024
Indexing and real-time user-friendly queries in terabyte-sized complex genomic datasets with kmindex and ORATéo Lemane, Nolan Lezzoche, Julien Lecubin, et al.Nature Computational Science|June 7, 2024
Scalable design of orthogonal DNA barcode librariesGokul Gowri, Kuanwei Sheng, Peng YinNature Computational Science|October 15, 2024
The future of machine learning for small-molecule drug discovery will be driven by dataGuy Durant, Fergus Boyles, Kristian Birchall, et al.Nature Computational Science|September 16, 2024
Automated customization of large-scale spiking network models to neuronal population activityShenghao Wu, Chengcheng Huang, Adam C Snyder, et al.Nature Computational Science|February 25, 2026
Partially shared multi-modal embedding learns holistic representation of cell stateXinyi Zhang, G V Shivashankar, Caroline UhlerNature Computational Science|February 19, 2026
A dynamic routing-guided interpretable framework for salt-solvent chemistryZhilong Wang, Fengqi YouNature Computational Science|October 25, 2024
Improving the prediction of protein stability changes upon mutations by geometric learning and a pre-training strategyYunxin Xu, Di Liu, Haipeng GongPageof 46