3 papers
physics.chem-ph2026
SupraTITO: Transferable Generative Molecular Dynamics for Supramolecular Systems
Weilong Chen, Nuno Costa, Julija Zavadlav
Peptide sequence governs both the structures formed through supramolecular assembly and the dynamics by which they emerge, but predicting either requires resolving slow collective…
q-bio.BM2025
Morphology-Aware Peptide Discovery via Masked Conditional Generative Modeling
Nuno Costa, Julija Zavadlav
Peptide self-assembly prediction offers a powerful bottom-up strategy for designing biocompatible, low-toxicity materials for large-scale synthesis in a broad range of biomedical a…
cs.LG2022
Robustness Evaluation of Regression Tasks with Skewed Domain Preferences
Nuno Costa, Nuno Moniz
In natural phenomena, data distributions often deviate from normality. One can think of cataclysms as a self-explanatory example: events that occur almost never, and at the same ti…