Open access
Jul 2026
A Preparation-Free Mixture-of-Experts Framework for Protein-Ligand Affinity Prediction
The resulting model, HydrAffinity, is an interaction-free, dynamic sparse model that uses pre-trained encoders and MoE for parameter-efficient learning and outperforms all interaction-free methods and matches state-of-the-art interaction-based methods on CASF-2016.
Huiming Bao, Shouliang Dong
· bioRxiv · 0 citations