collaborators

1 paper

cs.LG2025

Towards Precision Protein-Ligand Affinity Prediction Benchmark: A Complete and Modification-Aware DAVIS Dataset

Ming-Hsiu Wu, Ziqian Xie, Shuiwang Ji +1

Advancements in AI for science unlocks capabilities for critical drug discovery tasks such as protein-ligand binding affinity prediction. However, current models overfit to existin…