Matthias Rieger
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Steps towards de Novo 3D Ligand and Protein Design via Deep Learning (eBook, PDF)

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Master's Thesis from the year 2019 in the subject Computer Science - Bioinformatics, grade: 1,3, University of Tubingen (Faculty of Science / Department of Bioinformatics), language: English, abstract: Since 2013 generative neural networks are used for tasks like generating audio or image data. However, there is no publication which uses their capabilities for de novo ligand and or protein design yet. In this work, a generative neural network is introduced - the PG-VUGAN (progressively growing variational U-NET generative adversarial network) with which it is intended to fill this knowledge-ga...

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