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45 Results
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Workshop
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Directly Optimizing for Synthesizability in Generative Molecular Design using Retrosynthesis Models Jeff Guo · Philippe Schwaller |
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Poster
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Wed 16:30 |
Molecule Design by Latent Prompt Transformer Deqian Kong · Yuhao Huang · Jianwen Xie · Edouardo Honig · Ming Xu · Shuanghong Xue · Pei Lin · Sanping Zhou · Sheng Zhong · Nanning Zheng · Ying Nian Wu |
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Workshop
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Saturn: Sample-efficient Generative Molecular Design using Memory Manipulation Jeff Guo · Philippe Schwaller |
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Poster
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Wed 16:30 |
Score-based 3D molecule generation with neural fields Matthieu Kirchmeyer · Pedro O. Pinheiro · Saeed Saremi |
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Workshop
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JAMUN: Transferable Molecular Conformational Ensemble Generation with Walk-Jump Sampling Bodhi Vani · Ameya Daigavane · Joshua Rackers · Joseph Kleinhenz |
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Workshop
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Deterministic global optimization for sample-efficient molecular design with generative machine learning Jan Rittig · Malte Franke · Alexander Mitsos |
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Poster
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Fri 16:30 |
Text2CAD: Generating Sequential CAD Designs from Beginner-to-Expert Level Text Prompts Mohammad Sadil Khan · Sankalp Sinha · Talha Uddin · Didier Stricker · Sk Aziz Ali · Muhammad Zeshan Afzal |
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Workshop
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Bayesian Optimal Experimental Design of Streaming Data Incorporating Machine Learning Generated Synthetic Data Kentaro Hoffman · Tyler H. McCormick |
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Poster
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Wed 16:30 |
Implicitly Guided Design with PropEn: Match your Data to Follow the Gradient Nataša Tagasovska · Vladimir Gligorijevic · Kyunghyun Cho · Andreas Loukas |
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Workshop
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Dimensions of Generative AI Evaluation Design Alex Dow · Jennifer Wortman Vaughan · Solon Barocas · Chad Atalla · Alexandra Chouldechova · Hanna Wallach |
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Poster
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Wed 11:00 |
Evaluating the design space of diffusion-based generative models Yuqing Wang · Ye He · Molei Tao |
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Workshop
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Generative Flows on Synthetic Pathway for Drug Design Seonghwan Seo · Minsu Kim · Tony Shen · Martin Ester · Jinkyoo Park · Sungsoo Ahn · Woo Youn Kim |