arXiv Machine Learning By Sandro Kuppel, Julian Ho{\ss}bach, Samuel Tovey, Christian Holm

Multi-modal transformer for signal classification in nanopore blockade experiments

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arXiv:2607. 20323v1 Announce Type: new Abstract: Nanopore devices have emerged as powerful tools for single-molecule sensing, with potential for rapid, portable diagnostics.

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arXiv Machine Learning
Jun 16

Latent space mapping of interpretable structural coordinates from stochastic single-molecule signals

arXiv:2606. 16950v1 Announce Type: cross Abstract: Nanopores are versatile single-molecular sensors, but their utility is fundamentally constrained by stochastic translocation dynamics warping any encoded information.

By Matteo Cartiglia, Sandro Kuppel, Wouter Botermans Wannes Peeters, Natan Biesmans, Liam Vandekerckhove, Eric Beamish, Koen Ongena, Wouter Renckens, Pol Van Dorpe, Sanjin Marion
arXiv Machine Learning
Jul 1

ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table

arXiv:2606. 30961v1 Announce Type: cross Abstract: Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent codebases and lack support for diverse chemical species.

By Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes K\"astner, Heather J. Kulik
arXiv Machine Learning
Jul 14

Vilya-1: An all-atom foundation model for macrocycle structure prediction and design

arXiv:2607. 09998v1 Announce Type: new Abstract: Macrocyclic peptides are an increasingly important therapeutic modality, but existing computational methods for modeling their structures and properties are limited in scope and do not generalize well across the synthetically accessible chemical space.

By Vilya Research, :, Pascal Sturmfels, Milad Salem, Naozumi Hiranuma, Stephen Rettie, Xiaoliang Pan, Benjamin D. Sellers, Adam P. Moyer, Patrick J. Salveson, Ivan Anishchanka