2 papers
q-bio.BM2025
A Comprehensive Benchmark for RNA 3D Structure-Function Modeling
Luis Wyss, Vincent Mallet, Wissam Karroucha +2
The relationship between RNA structure and function has recently attracted interest within the deep learning community, a trend expected to intensify as nucleic acid structure mode…
cs.LG2025
Refine Drugs, Don't Complete Them: Uniform-Source Discrete Flows for Fragment-Based Drug Discovery
Benno Kaech, Luis Wyss, Karsten Borgwardt +1
We introduce InVirtuoGen, a discrete flow generative model for fragmented SMILES for de novo and fragment-constrained generation, and target-property/lead optimization of small mol…