#graph neural networks
Oct 2026
Protein Language Model-Conditioned Graph Neural Networks for Multitask GPCR Ligand Activity Prediction
Predicting ligand activity across G protein-coupled receptors (GPCRs) requires models that capture both molecular structure and receptor-specific information while remaining robust to chemical and target-domain shifts. We developed a multimodal graph neural network that combines explicit ligand molecular graphs with fr...
Manashi De, Ekarsi Lodh, Shalini Majumder et al.
· bioRxiv (Cold Spring Harbor... · 0 citations