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13 Results
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Workshop
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GNNAS-Dock: Budget Aware Algorithm Selection with Graph Neural Networks for Molecular Docking Yiliang Yuan · Mustafa Misir |
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Oral
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Fri 16:10 |
Graph Diffusion Transformers for Multi-Conditional Molecular Generation Gang Liu · Jiaxin Xu · Tengfei Luo · Meng Jiang |
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Poster
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Fri 11:00 |
On the Scalability of GNNs for Molecular Graphs Maciej Sypetkowski · Frederik Wenkel · Farimah Poursafaei · Nia Dickson · Karush Suri · Philip Fradkin · Dominique Beaini |
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Poster
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Thu 16:30 |
Extracting Training Data from Molecular Pre-trained Models Renhong Huang · Jiarong Xu · Zhiming Yang · Xiang Si · Xin Jiang · Hanyang Yuan · Chunping Wang · YANG YANG |
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Poster
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Fri 16:30 |
Graph Diffusion Transformers for Multi-Conditional Molecular Generation Gang Liu · Jiaxin Xu · Tengfei Luo · Meng Jiang |
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Poster
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Thu 16:30 |
Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism Ronast Subedi · Lu Wei · Wenhan Gao · Shayok Chakraborty · Yi Liu |
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Workshop
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Imporving Molecular Graph Generation with Flow Matching and Optimal Transport Xiaoyang Hou · Tian Zhu · Milong Ren · Dongbo Bu · Xin Gao · Chunming Zhang · Shiwei Sun |
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Workshop
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Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations Eduardo Soares · Indra Priyadarsini S · Emilio Vital Brazil · Victor Yukio Shirasuna · Seiji Takeda |
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Workshop
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Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations Eduardo Soares · Indra Priyadarsini S · Emilio Vital Brazil · Victor Yukio Shirasuna · Seiji Takeda |
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Workshop
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Chemical Language Meets Geometric Graphs: A Multimodal Fusion Approach for Molecular Properties Collin Francel · Massimiliano Lupo Pasini · Zachary Fox |
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Workshop
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Deconstructing equivariant representations in molecular systems Kin Long Kelvin Lee · Michael Galkin · Santiago Miret |
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Workshop
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Sat 9:21 |
Deconstructing equivariant representations in molecular systems Kin Long Kelvin Lee · Michael Galkin · Santiago Miret |