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Nature Computational Science|December 18, 2024
Predicting emergence of crystals from amorphous precursors with deep learning potentialsMuratahan Aykol, Amil Merchant, Simon Batzner, et al.Nature Computational Science|January 3, 2025
Decoupled peak property learning for efficient and interpretable electronic circular dichroism spectrum predictionHao Li, Da Long, Li Yuan, et al.Nature Computational Science|December 5, 2024
Enabling efficient analysis of biobank-scale data with genotype representation graphsDrew DeHaas, Ziqing Pan, Xinzhu WeiNature Computational Science|December 5, 2024
Interpreting single-cell and spatial omics data using deep neural network training dynamicsJonathan Karin, Reshef Mintz, Barak Raveh, et al.Nature Computational Science|January 4, 2024
High-throughput property-driven generative design of functional organic moleculesJulia Westermayr, Joe Gilkes, Rhyan Barrett, et al.Nature Computational Science|January 4, 2024
The landscape of computational approaches for artificial photosynthesisKe R Yang, Gregory W Kyro, Victor S BatistaNature Computational Science|January 4, 2024
Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networksMichael Scherbela, Rafael Reisenhofer, Leon Gerard, et al.Nature Computational Science|January 4, 2024
GRAPE for fast and scalable graph processing and random-walk-based embeddingLuca Cappelletti, Tommaso Fontana, Elena Casiraghi, et al.Nature Computational Science|January 4, 2024
The high-dimensional space of human diseases built from diagnosis records and mapped to genetic lociGengjie Jia, Yu Li, Xue Zhong, et al.Nature Computational Science|January 4, 2024
Designing equitable algorithmsAlex Chohlas-Wood, Madison Coots, Sharad Goel, et al.Pageof 46