DTA-GNN: Target-Specific Binding Affinity Dataset Builder and GNN Trainer

Title: DTA-GNN: Target-Specific Binding Affinity Dataset Builder and GNN Trainer
Type: Gradio App
URL: https://dta-gnn.serve.scilifelab.se
Source code: https://github.com/gozsari/DTA-GNN
Docker image: ghcr.io/gozsari/dta-gnn-serve:serve-3288db3e80234aa0a1081319b74e8ed10b1465d8
Created: 30 Jan, 2026
Updated: 06 Feb, 2026
Description: Build leakage-free Drug-Target Affinity datasets from ChEMBL and train Graph Neural Networks for target-specific binding affinity prediction
Tags: Binding-Affinity-Prediction
Chembl
Drug-Discovery
Drug-Target-Affinity
Gnn
Graph-Neural-Networks
Molecular-Graphs

Gökhan Özsari

gokhan.ozsari@chalmers.se

Chalmers e-Commons

Chalmers University of Technology