April 04, 2017 preprint Open access Neural Message Passing for Quantum Chemistry arXiv (Cornell University) DOI: 10.48550/arxiv.1704.01212 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 25 stored of 3,833 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Multi-fidelity graph neural networks for predicting toluene/water partition coefficients 2025 Journal of Cheminformatics article Computer Science Computational Drug Discovery Methods Open access 8 citations Predicting the temperature-dependent CMC of surfactant mixtures with graph neural networks 2025 Computers & Chemical Engineering article Chemistry Surfactants and Colloidal Systems Open access 12 citations Predicting solvation free energies for neutral molecules in any solvent with openCOSMO-RS 2024 Fluid Phase Equilibria article Physics and Astronomy Advanced Chemical Physics Studies Open access 41 citations Graph neural networks for surfactant multi-property prediction 2024 Colloids and Surfaces A Physicochemical and Engineering Aspects article Chemistry Surfactants and Colloidal Systems Open access cited by 1 patent 30 citations One Model, Any CSP: Graph Neural Networks as Fast Global Search Heuristics for Constraint Satisfaction 2023 International Joint Conference on Artificial Intelligence conference-paper Computer Science Constraint Satisfaction and Optimization Open access 15 citations Some Might Say All You Need Is Sum 2023 International Joint Conference on Artificial Intelligence conference-paper Computer Science Advanced Graph Neural Networks Open access 4 citations A Memorizing and Generalizing Framework for Lifelong Person Re-Identification 2023 IEEE Transactions on Pattern Analysis and Machine Intelligence article Computer Science Video Surveillance and Tracking Methods Open access 62 citations The Descriptive Complexity of Graph Neural Networks 2023 Proceedings - 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