1 citations · 1 across the 3 of their papers we have counts for
3 papers
cs.CE2025
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design
Xiuyuan Hu, Guoqing Liu, Can Chen +3
Structure-based drug design (SBDD) is a critical task in drug discovery, requiring the generation of molecular information across two distinct modalities: discrete molecular graphs…
cs.CE2025★ 1 cited
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
Xiuyuan Hu, Guoqing Liu, Can Chen +3
Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existin…
cs.CE2024
ParetoFlow: Guided Flows in Multi-Objective Optimization
Ye Yuan, Can Chen, Christopher Pal +1
In offline multi-objective optimization (MOO), we leverage an offline dataset of designs and their associated labels to simultaneously minimize multiple objectives. This setting mo…