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-for-serve:for-serve-fc6fb6fed2732a3e3b1f355261c933ce47d15453@sha256:b4067ce955e5eee8da95766e383ccb3b739cccf9342a0a102bdb8c480c8f4c39
Created: 30 Jan, 2026
Updated: 26 Apr, 2026
Description: Build leakage-free Drug-Target Affinity datasets from ChEMBL and train Graph Neural Networks for target-specific binding affinity prediction
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Gökhan Özsari

gokhan.ozsari@chalmers.se

Chalmers e-Commons

Chalmers University of Technology