MoleculeNet BBBP.

Blood-Brain Barrier Penetration dataset from MoleculeNet — binary classification of ~2000 compounds for barrier permeability. Scaffold split.

Best published scores.

No results indexed yet — be the first to submit a score.

Primary

ROC-AUC · higher is better

Have a score that beats
this table?

Submit a checkpoint and a reproduction script. We will run it, publish the score, and — if it takes the top — annotate the step on the progress chart with your name.

• 01A public checkpoint or API endpoint
• 02A reproduction script with frozen commit + seed
• 03Declared evaluation environment (Python, deps)
• 04One row per metric declared by this dataset
• 05A contact so we can follow up on discrepancies