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Paperium
Paperium

Posted on • Originally published at paperium.net

Graph Diffusion Transformers are In-Context Molecular Designers

AI Breakthrough: Designing Molecules with Just a Few Examples

What if a computer could sketch a new medicine after seeing just a handful of examples? A new AI system called DemoDiff learns to create molecules from only a few demonstrations, much like a chef inventing a new dish after tasting a couple of flavors.
It uses a clever shortcut that shrinks chemical blueprints into tiny pieces, making the model five times smaller than older giants.
Trained on millions of tasks, DemoDiff can now help craft new drugs and stronger materials in a flash, cutting years of lab work and slashing costs for molecular design and drug discovery.
Researchers say this approach could level the playing field for small labs, giving them the same creative power as big pharma.
By turning chemistry into a language that AI understands, the model can explore countless possibilities in seconds—something that would take humans months.
Imagine a future where a few smart hints guide a computer to sketch the next breakthrough – that’s the promise of DemoDiff.
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Graph Diffusion Transformers are In-Context Molecular Designers

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