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Prof. Dr. Klaus-Robert Müller, Dr. Kristof T. Schütt, Niklas Gebauer

Inverse design of 3d molecular structures with conditional generative neural networks

September 10 , 2021
https://arxiv.org/abs/2109.04824

Luis Oala, Cosmas Heiß, Jan Macdonald, Maximilian März, Prof. Dr. Gitta Kutyniok, Prof. Dr. Wojciech Samek

Detecting failure modes in image reconstructions with interval neural network uncertainty

September 04 , 2021
https://doi.org/10.1007/s11548-021-02482-2

Tim Hempel, Katarina Elez, Nadine Krüger, Lluís Raich, Jonathan H. Shrimp, Olga Danov, Danny Jonigk, Armin Braun, Min Shen, Matthew D. Hall, Stefan Pöhlmann, Markus Hoffmann, Prof. Dr. Frank Noé

Synergistic inhibition of SARS-CoV-2 cell entry by otamixaban and covalent protease inhibitors: pre-clinical assessment of pharmacological and molecular properties

August 26 , 2021
https://doi.org/10.1039/D1SC01494C

Petros Gigis, Matt Calder, Lefteris Manassakis, George Nomikos, Vasileios Kotronis, Xenofontas A. Dimitropoulos, Ethan Katz-Bassett, Prof. Georgios Smaragdakis, Ph.D.

Seven years in the life of Hypergiants’ off-nets

August 09 , 2021
https://doi.org/10.1145/3452296.3472928