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65 Results
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Oral
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Tue 2:15 |
Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models Songtao Liu · Hanjun Dai · Yue Zhao · Peng Liu |
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Poster
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Tue 2:30 |
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen · Shengjie Luo · Di He · Shuxin Zheng · Tie-Yan Liu · Liwei Wang |
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Poster
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Wed 2:30 |
Generative Flows on Discrete State-Spaces: Enabling Multimodal Flows with Applications to Protein Co-Design Andrew Campbell · Jason Yim · Regina Barzilay · Tom Rainforth · Tommi Jaakkola |
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Poster
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Thu 2:30 |
Unveiling the Potential of AI for Nanomaterial Morphology Prediction Ivan Dubrovsky · Andrei Dmitrenko · Aleksey Dmitrenko · Nikita Serov · Vladimir Vinogradov |
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Poster
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Wed 4:30 |
UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning Shikun Feng · Yuyan Ni · Li · Yanwen Huang · Zhiming Ma · Wei-Ying Ma · Yanyan Lan |
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Poster
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Thu 4:30 |
Rethinking Specificity in SBDD: Leveraging Delta Score and Energy-Guided Diffusion Bowen Gao · Minsi Ren · Yuyan Ni · Yanwen Huang · Bo Qiang · Zhiming Ma · Wei-Ying Ma · Yanyan Lan |
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Poster
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Wed 2:30 |
Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation Zhilin Huang · Ling Yang · Xiangxin Zhou · Chujun Qin · Yijie Yu · Xiawu Zheng · Zikun Zhou · Wentao Zhang · Yu Wang · Wenming Yang |
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Poster
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Thu 2:30 |
Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design Leo Klarner · Tim G. J. Rudner · Garrett Morris · Charlotte Deane · Yee-Whye Teh |
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Poster
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Thu 2:30 |
AdsorbDiff: Adsorbate Placement via Conditional Denoising Diffusion Adeesh Kolluru · John Kitchin |
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Poster
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Tue 4:30 |
Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning Xiangzhe Kong · Wenbing Huang · Yang Liu |
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Poster
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Wed 2:30 |
Drug Discovery with Dynamic Goal-aware Fragments Seul Lee · Seanie Lee · Kenji Kawaguchi · Sung Ju Hwang |
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Poster
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Thu 4:30 |
Pre-Training Protein Bi-level Representation Through Span Mask Strategy On 3D Protein Chains Jiale Zhao · Wanru Zhuang · Jia Song · Yaqi Li · Shuqi Lu |