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graph neural networks  (ACELLERA LTD)

 
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    ACELLERA LTD graph neural networks
    Graph Neural Networks, supplied by ACELLERA LTD, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/graph+neural+network+algorithm+deep+graph/graph+neural+networks/pm37874270-171-21-95
    Average 90 stars, based on 1 article reviews
    graph neural networks - by Bioz Stars, 2026-09
    90/100 stars

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    Article Title: Top-Down Machine Learning of Coarse-Grained Protein Force Fields.
    Article Snippet: .. Detailed mathematical formulations for the prior energy terms used in the model, as well as the architecture and equations for the Graph Neural Networks; training curves for different potentials (Figures S1 and S2), comparative analysis of the free energy landscape across initial TICA dimensions (Figure S3), sequences of fast- folding proteins studied (Table S1), hyperparameters used for neural network training (Table S2), and comparison of MD simulation speeds for different proteins using different NNPs (Table S3) (PDF) ■ AUTHOR INFORMATION Corresponding Author Gianni De Fabritiis − Computational Science Laboratory, Universitat Pompeu Fabra, 08003 Barcelona, Spain; Acellera Ltd., Middlesex HA7 1JS, United Kingdom; Institució Catalana de Recerca i Estudis Avançats (ICREA), 08010 Barcelona, Spain; orcid.org/0000-0003-3913-4877; Email: gianni.defabritiis@upf.edu .. Carles Navarro − Acellera Labs, 08005 Barcelona, Spain; orcid.org/0009-0001-7679-6944 Maciej Majewski − Acellera Labs, 08005 Barcelona, Spain; orcid.org/0000-0003-2605-8166 Complete contact information is available at: https://pubs.acs.org/10.1021/acs.jctc.3c00638



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