2 papers
cs.LG2026
Bridging the Simulation-to-Experiment Gap with Generative Models using Adversarial Distribution Alignment
Kai Nelson, Tobias Kreiman, Sergey Levine +1
A fundamental challenge in science and engineering is the simulation-to-experiment gap. While we often possess prior knowledge of physical laws, these physical laws can be too diff…
cs.LG2026
General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design
Yue Jian, Curtis Wu, Danny Reidenbach +1
Structure-based drug design (SBDD) aims to generate ligands that bind strongly and specifically to target protein pockets. Recent diffusion models have advanced SBDD by capturing t…