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20 Results
Workshop
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Towards out-of-distribution generalizable predictions of chemical kinetics properties Zihao Wang · Yongqiang Chen · Yang Duan · Weijiang Li · Bo Han · James Cheng · Hanghang Tong · Hanghang Tong |
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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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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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AbLEF: Antibody Language Ensemble Fusion for thermodynamically empowered property predictions Zachary Rollins · Talal Widatalla · Andrew Waight · Alan Cheng · Essam Metwally |
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Workshop
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Impacts of Data and Models on Unsupervised Pre-training for Molecular Property Prediction Elizabeth Coda · Gihan Panapitiya · Emily Saldanha |
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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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Multi-modal Foundation Model for Material Design Seiji Takeda · Indra Priyadarsini S · Akihiro Kishimoto · Hajime Shinohara · Lisa Hamada · Hirose Masataka · Junta Fuchiwaki · Daiju Nakano |
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Workshop
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Active Causal Machine Learning for Molecular Property Prediction Zachary Fox · Ayana Ghosh |