3 papers
cs.LG2026
EvoEGF-Mol: Evolving Exponential Geodesic Flow for Structure-based Drug Design
Yaowei Jin, Junjie Wang, Cheng Cao +3
Structure-Based Drug Design (SBDD) aims to discover bioactive ligands. Conventional approaches construct probability paths separately in Euclidean and probabilistic spaces for cont…
cs.LG2026
FLAG: Foundation model representation with Latent diffusion Alignment via Graph for spatial gene expression prediction
Qi Si, Penglei Wang, Yushuai Wu +5
Predicting spatial gene expression from routine H\&E enables large-scale molecular profiling, yet current models treat this as isolated pointwise tasks, thereby overlooking essenti…
cs.LG2026
Structure-based RNA Design by Step-wise Optimization of Latent Diffusion Model
Qi Si, Xuyang Liu, Penglei Wang +3
RNA inverse folding, designing sequences to form specific 3D structures, is critical for therapeutics, gene regulation, and synthetic biology. Current methods, focused on sequence…