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20 Results
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Poster
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Tue 15:15 |
GeoTMI: Predicting Quantum Chemical Property with Easy-to-Obtain Geometry via Positional Denoising Hyeonsu Kim · Jeheon Woo · SEONGHWAN KIM · Seokhyun Moon · Jun Hyeong Kim · Woo Youn Kim |
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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 |
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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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Poster
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Tue 15:15 |
ProteinNPT: Improving Protein Property Prediction and Design with Non-Parametric Transformers Pascal Notin · Ruben Weitzman · Debora Marks · Yarin Gal |
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Poster
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Tue 15:15 |
Learning Large Graph Property Prediction via Graph Segment Training Kaidi Cao · Mangpo Phothilimthana · Sami Abu-El-Haija · Dustin Zelle · Yanqi Zhou · Charith Mendis · Jure Leskovec · Bryan Perozzi |
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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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Poster
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Wed 8:45 |
CoDrug: Conformal Drug Property Prediction with Density Estimation under Covariate Shift Siddhartha Laghuvarapu · Zhen Lin · Jimeng Sun |
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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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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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Motif-aware Attribute Masking for Molecular Graph Pre-training Eric Inae · Gang Liu · Meng Jiang |
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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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SE(3)-Invariant Multiparameter Persistent Homology for Chiral-Sensitive Molecular Property Prediction Andaç Demir · Francis Prael III · Bulent Kiziltan |