From Physics Constraints to Adaptive Discovery: OG-QIMP Enables Quantum-Informed Molecular Property Prediction

Research Square 2026 Preprint Open access

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Authors: Kwok‐Yan Lam, Regina Qianru ZHANG, Honggang Wen, Ming Li, Xiaojin Zhang, Qiang Yang, Siu-Ming Yiu, Pietro Liò

DOI: 10.21203/rs.3.rs-8355954/v1

Cited by: 0

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Graph Neural Networks Computational Drug Discovery Methods