8 citations · 8 across the 2 of their papers we have counts for
3 papers
cs.LG2026
DrugSAGE:Self-evolving Agent Experience for Efficient State-of-the-Art Drug Discovery
Yikun Zhang, Xiwei Cheng, Tianyu Liu +2
Building state-of-the-art (SOTA) predictive models for drug discovery requires expensive search over tools, architectures, and training strategies. Current LLM-based agents can fin…
q-bio.BM2024
Decomposed Direct Preference Optimization for Structure-Based Drug Design
Xiwei Cheng, Xiangxin Zhou, Yuwei Yang +2
Diffusion models have achieved promising results for Structure-Based Drug Design (SBDD). Nevertheless, high-quality protein subpocket and ligand data are relatively scarce, which h…
q-bio.BM2024★ 8 cited
DecompOpt: Controllable and Decomposed Diffusion Models for Structure-based Molecular Optimization
Xiangxin Zhou, Xiwei Cheng, Yuwei Yang +3
Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling t…