2 papers
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…
cs.LG2025
Learning Continuous Solvent Effects from Transient Flow Data: A Graph Neural Network Benchmark on Catechol Rearrangement
Hongsheng Xing, Qiuxin Si
Predicting reaction outcomes across continuous solvent composition ranges remains a critical challenge in organic synthesis and process chemistry. Traditional machine learning appr…