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Workshop
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
Workshop
MoleculeGPT: Instruction Following Large Language Models for Molecular Property Prediction
Weitong ZHANG · Xiaoyun Wang · Weili Nie · Joe Eaton · Brad Rees · Quanquan Gu
Workshop
Cross-Modal Learning for Chemistry Property Prediction: Large Language Models Meet Graph Machine Learning
Sagar Srinivas Sakhinana · Venkataramana Runkana
Workshop
AbLEF: Antibody Language Ensemble Fusion for thermodynamically empowered property predictions
Zachary Rollins · Talal Widatalla · Andrew Waight · Alan Cheng · Essam Metwally
Workshop
Impacts of Data and Models on Unsupervised Pre-training for Molecular Property Prediction
Elizabeth Coda · Gihan Panapitiya · Emily Saldanha
Workshop
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
Workshop
Multi-modal Foundation Model for Material Design
Seiji Takeda · Indra Priyadarsini S · Akihiro Kishimoto · Hajime Shinohara · Lisa Hamada · Hirose Masataka · Junta Fuchiwaki · Daiju Nakano
Workshop
Active Causal Machine Learning for Molecular Property Prediction
Zachary Fox · Ayana Ghosh