Drug-target interaction prediction with DrugBAN

Warning

This tutorial is a stub. The example in this folder is complete and runnable – see the README and run the command below – but the narrated walkthrough has not been written yet. Tracking issue: the tutorial is marked draft: true in metadata.yml.

An interpretable bilinear attention network over drug molecular graphs and protein sequences, with optional domain adaptation for cross-domain generalisation on BindingDB and BioSNAP.

To run the full example now:

python main.py --cfg configs/non_DA_in_domain.yaml

Setup

Placeholder so the gallery builds. Replace this file using source/_shared/templates/plot.py.template.

print("See main.py in this folder for the runnable example.")