Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
The Nanotechnology Molecular Optimization (NMO) Benchmark introduces physics-based molecular design challenges that require new generative model approaches, moving beyond drug-disc…
Hugging Face · Daily Papers
·Matthias Blaschke, Daniel Kienzle
·
·▲ 3 upvotes
Este artigo está em destaque na seleção diária de papers do Hugging Face, curada pela comunidade de pesquisa em IA.
Autores: Matthias Blaschke, Daniel Kienzle, Zsuzsanna Koczor-Benda, Julian Lorenz, Rainer Lienhart, Fabian Pauly
- 3 upvotes da comunidade
- Temas: Nanotechnology Molecular Optimization, generative models, molecular optimization, quantum simulations, structural constraints, fitness landscapes
Resumo
Resumo original (em inglês), extraído do paper:
The Nanotechnology Molecular Optimization (NMO) Benchmark introduces physics-based molecular design challenges that require new generative model approaches, moving beyond drug-discovery-focused metrics to enable scientific discovery in nanotechnology.Onde ler
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