Happy to announce that our preprint about our initial work on CASTER-DTA, an SE(3)-equivariant graph neural network model that uses 3D protein structures to predict binding affinity of proteins with drugs, is now available on biorxiv! 🧪
www.biorxiv.org/content/10.1...
biorxiv.org
CASTER-DTA: Equivariant Graph Neural Networks for Predicting Drug-Target Affinity
Accurately determining the binding affinity of a ligand with a protein is important for drug design, development, and screening. With the advent of accessible protein structure prediction methods such...