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27 Results
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Workshop
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Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning Sagar Srinivas Sakhinana · Venkataramana Runkana |
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Workshop
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Implicit Geometry and Interaction Embeddings Improve Few-Shot Molecular Property Prediction Christopher Fifty · Joseph M Paggi · Ehsan Amid · Jure Leskovec · Ron Dror |
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Workshop
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AbLEF: Antibody Language Ensemble Fusion for thermodynamically empowered property predictions Zachary Rollins · Talal Widatalla · Andrew Waight · Alan Cheng · Essam Metwally |
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Poster
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Wed 8:45 |
Understanding the Limitations of Deep Models for Molecular property prediction: Insights and Solutions Jun Xia · Lecheng Zhang · Xiao Zhu · Yue Liu · Zhangyang Gao · Bozhen Hu · Cheng Tan · Jiangbin Zheng · Siyuan Li · Stan Z. Li |
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Workshop
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Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction Eduardo Soares · Emilio Vital Brazil · Karen Fiorella Gutierrez · Renato Cerqueira · Daniel Sanders · Kristin Schmidt · Dmitry Zubarev |
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Workshop
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Active Causal Machine Learning for Molecular Property Prediction Zachary Fox · Ayana Ghosh |
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Workshop
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SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction Andaç Demir · Francis Prael III · Bulent Kiziltan |
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Workshop
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MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network Akihiro Kishimoto · Hiroshi Kajino · Hirose Masataka · Junta Fuchiwaki · Indra Priyadarsini S · Lisa Hamada · Hajime Shinohara · Daiju Nakano · Seiji Takeda |
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Workshop
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MoleculeGPT: Instruction Following Large Language Models for Molecular Property Prediction Weitong ZHANG · Xiaoyun Wang · Weili Nie · Joe Eaton · Brad Rees · Quanquan Gu |
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Workshop
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Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae · Gang Liu · Meng Jiang |
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Workshop
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Fri 7:50 |
Investigating extrapolation and low-data challenges via contrastive learning of chemical compositions Federico Ottomano · Giovanni De Felice · Rahul Savani · Vladimir Gusev · Matthew Rosseinsky |
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Workshop
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Data Efficient Training for Materials Property Prediction Using Active Learning Querying Carmelo Gonzales · Kin Long Kelvin Lee · Bin Mu · Michael Galkin · Santiago Miret |