Papers matching “computational methods” 4,837
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Towards Foundational Models for Molecular Learning on Large-Scale Multi-Task Datasets2023 Zenodo (CERN European Organization for Nuclear Research) preprint Computer Science Computational Drug Discovery Methods Open access
Dominique Beaini, Shenyang Huang, Joao Alex Cunha, Zhiyi Li, Gabriela Moisescu-Pareja, Oleksandr Dymov, +19 more
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Assessing the performance of implicit ensembling of neural networks for proteochemometric modeling with RandomNets2026 ChemRxiv preprint Pharmacology, Toxicology and Pharmaceutics Computational Drug Discovery Methods Open access
Chiel Jespers, Olivier J. M. Béquignon, Mike Preuß, Gerard J. P. van Westen
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gridap/GridapPETSc.jl: v0.5.72026 Zenodo (CERN European Organization for Nuclear Research) software Engineering Advanced Numerical Methods in Computational Mathematics Open access
Francesc Verdugo, Alberto F. Martı́n, Jordi Manyer Fuertes, victorsndvg, Eric Neiva, Santiago Badia, +5 more
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Multivariate longitudinal modeling of cross-sectional and lagged associations between a continuous time-varying endogenous covariate and a non-Gaussian outcome2025 arXiv (Cornell University) preprint Mathematics Statistical Methods and Bayesian Inference Open access
C. Degan, Bart J.A. Mertens, Jelle J. Goeman, N.A. Ikelaar, Erik Harmen Niks, Pietro Spitali, +1 more
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