2 papers
cs.LG2025
OMTRA: A Multi-Task Generative Model for Structure-Based Drug Design
Ian Dunn, Liv Toft, Tyler Katz +4
Structure-based drug design (SBDD) focuses on designing small-molecule ligands that bind to specific protein pockets. Computational methods are integral in modern SBDD workflows an…
cs.LG2025
"What are my options?": Explaining RL Agents with Diverse Near-Optimal Alternatives (Extended)
Noel Brindise, Vijeth Hebbar, Riya Shah +1
In this work, we provide an extended discussion of a new approach to explainable Reinforcement Learning called Diverse Near-Optimal Alternatives (DNA), first proposed at L4DC 2025.…