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Marwin Segler

3 results in Authors: Marwin Segler

Theoretical and Computational Chemistry

Proteochemometric Models Using Multiple Sequence Alignments and a Subword Segmented Masked Language Model

Héléna Alexandra Gaspar, Mohamed Ahmed, Thomas Edlich, Benedek Fabian, Zsolt Varszegi, Marwin Segler, Joshua Meyers, Marco Fiscato

Version 1 posted 20 May 2021

821

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2

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Theoretical and Computational Chemistry

Learning chemical intuition from humans in the loop

Oh-Hyeon Choung, Riccardo Vianello, Marwin Segler, Nikolaus Stiefl, José Jiménez-Luna

Version 2 posted 16 March 2023

3,999

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Theoretical and Computational Chemistry

Fake it until you make it? Generative De Novo Design and Virtual Screening of Synthesizable Molecules

Megan Stanley, Marwin Segler

Version 2 posted 12 July 2023

1,448

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