2 papers
cs.LG2026
Trustworthy Protein-Ligand Binding Affinity Prediction via Reliability-Aware Multi-Engine Fusion
Yongchan Hong, Defu Cao, Wenjin Liu +6
Accurate protein-ligand binding affinity prediction is central to computational drug discovery, yet modern docking engines frequently disagree without indicating which prediction t…
cs.LG2026
GLACIER: A Multimodal Student-Teacher Foundation Model for Molecular Property Prediction
Emily Nguyen, Yongchan Hong, Harsh Toshniwal +2
Deep learning models facilitate the discovery of molecules with tailored properties among billions of candidate compounds. However, the computational burden to develop and deploy s…