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19 Results
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Workshop
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Equivariant Flow Matching for Molecular Conformer Generation Majdi Hassan · Nikhil Shenoy · Jungyoon Lee · Hannes Stärk · Stephan Thaler · Dominique Beaini |
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NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular Libraries Ewa M. Nowara · Pedro O. Pinheiro · Sai Pooja Mahajan · Omar Mahmood · Andrew Watkins · Saeed Saremi · Michael Maser |
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Workshop
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Rethinking Molecular Design: Integrating Latent Variable and Auto-Regressive Models for Enhanced Goal Directed Generation Arthur-Louis Heath · maolaaisha aminanmu · Michael Krauthammer |
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Workshop
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Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space Mohamed Amine Ketata · Nicholas Gao · Johanna Sommer · Tom Wollschläger · Stephan Günnemann |
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Workshop
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NCIDiff: Non-covalent Interaction-generative Diffusion Model for Improving Reliability of 3D Molecule Generation Inside Protein Pocket Joongwon Lee · Wonho Zhung · Woo Youn Kim |
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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 |