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Nature Computational Science|August 26, 2025
Pharmacophore-oriented 3D molecular generation toward efficient feature-customized drug discoveryJian Peng, Jun-Lin Yu, Zeng-Bao Yang, et al.Nature Computational Science|December 20, 2021
Fighting COVID-19 with HPCNature Computational Science|September 12, 2022
Rapid Assessment of T-Cell Receptor Specificity of the Immune RepertoireXingcheng Lin, Jason T George, Nicholas P Schafer, et al.Nature Computational Science|January 7, 2022
Detection of quantitative trait loci from RNA-seq data with or without genotypes using BaseQTLElena Vigorito, Wei-Yu Lin, Colin Starr, et al.Nature Computational Science|November 1, 2021
High Performance Computing Framework for Tera-Scale Database Search of Mass Spectrometry DataMuhammad Haseeb, Fahad SaeedNature Computational Science|March 31, 2022
Consistent cross-modal identification of cortical neurons with coupled autoencodersRohan Gala, Agata Budzillo, Fahimeh Baftizadeh, et al.Nature Computational Science|April 2, 2021
Similarity-driven multi-view embeddings from high-dimensional biomedical dataBrian B Avants, Nicholas J Tustison, James R StoneNature Computational Science|June 10, 2025
Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamicsBojun Liu, Siqin Cao, Jordan G Boysen, et al.Nature Computational Science|July 23, 2025
Best practices for multi-fidelity Bayesian optimization in materials and molecular researchVíctor Sabanza-Gil, Riccardo Barbano, Daniel Pacheco Gutiérrez, et al.Nature Computational Science|June 19, 2025
Cost-effective instruction learning for pathology vision and language analysisKaitao Chen, Mianxin Liu, Fang Yan, et al.Pageof 46