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6 Results
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Workshop
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Bayesian Optimization for the Discovery of Redox Active Quinones Giacomo De Gobbi · Reyhan Yagmur · Janine Maier · Stefan Spirk · Robert Peharz |
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Workshop
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Equivariant Transformer Forcefields for Molecular Conformer Generation Rui Feng · Binghong Chen · Chao Zhang |
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Workshop
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Efficient 3D Molecular Generation with Flow Matching and Scale Optimal Transport Ross Irwin · Alessandro Tibo · Jon Paul Janet · Simon Olsson |
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Workshop
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Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang · Marta Skreta · Yuanqi Du · Wenhao Gao · Lingkai Kong · Cher-Tian Ser · Felix Strieth-Kalthoff · Chenru Duan · Yuchen Zhuang · Yue Yu · Yanqiao Zhu · Alan Aspuru-Guzik · Kirill Neklyudov · Chao Zhang |
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Workshop
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Efficient Evolutionary Search over Chemical Space with Large Language Models Haorui Wang · Marta Skreta · Yuanqi Du · Wenhao Gao · Lingkai Kong · Cher-Tian Ser · Felix Strieth-Kalthoff · Chenru Duan · Yuchen Zhuang · Yue Yu · Yanqiao Zhu · Alan Aspuru-Guzik · Kirill Neklyudov · Chao Zhang |
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Workshop
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Navigating Chemical Space with Latent Flows Guanghao Wei · Yining Huang · Chenru Duan · Yue Song · Yuanqi Du |