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36 Results
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Workshop
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Graph2Token: Make LLMs Understand Molecule Graphs Runze Wang · Mingqi Yang · Yanming Shen |
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An Equivariant Flow Matching Framework for Learning Molecular Crystallization Shengchao Liu · Divin Yan · Hongyu Guo · Anima Anandkumar |
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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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Physics-Informed Weakly Supervised Learning for Interatomic Potentials Makoto Takamoto · Viktor Zaverkin · Mathias Niepert |
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Basic Bayesian Optimization is Underrated for Molecule Design Austin Tripp · Jose Miguel Hernandez-Lobato |
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Energy-Free Guidance of Geometric Diffusion Models for 3D Molecule Inverse Design Aksh Garg · Jiaqi Han · Sanjay Nagaraj · Minkai Xu · Stefano Ermon |
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Energy-Free Guidance of Geometric Diffusion Models for 3D Molecule Inverse Design Sanjay Nagaraj · Aksh Garg · Jiaqi Han · Minkai Xu · Stefano Ermon |
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Improving Graph-Language Alignment with Hierarchical Graph Tokenization Yongqiang Chen · QUANMING YAO · Juzheng Zhang · James Cheng · Yatao Bian |
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Cell Morphology-Guided Small Molecule Generation with GFlowNets Stephen Lu · Ziqing Lu · Ehsan Hajiramezanali · Tommaso Biancalani · Yoshua Bengio · Gabriele Scalia · Michał Koziarski |
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Cell Morphology-Guided Small Molecule Generation with GFlowNets Stephen Lu · Ziqing Lu · Ehsan Hajiramezanali · Tommaso Biancalani · Yoshua Bengio · Gabriele Scalia · Michał Koziarski |
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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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Tail Extrapolation in target-aware conditional molecule generation Weichi Yao · Cameron Gruich · Bryan Goldsmith · Yixin Wang |