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Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
The Nanotechnology Molecular Optimization benchmark replaces proxy drug metrics with quantum simulations for nanomaterials, showing simple methods outperform advanced ones and revealing new structural motifs.
Sydney Poster Session 3, Wed, Dec 9, 10:00 AM–1:00 PM, Hall 1-4 · Published 2026 · ▲ 5 on Hugging Face · Code ★ 2
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AI panel: 16 of 20 reviewers recommend it
lenient 5/5
medium 8/10
strict 3/5