3 citations · 4 across the 3 of their papers we have counts for
3 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.LG2024★ 3 cited
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…
cs.LG2023★ 1 cited
CoarsenConf: Equivariant Coarsening with Aggregated Attention for Molecular Conformer Generation
Danny Reidenbach, Aditi S. Krishnapriyan
Molecular conformer generation (MCG) is an important task in cheminformatics and drug discovery. The ability to efficiently generate low-energy 3D structures can avoid expensive qu…