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RESEARCH PAPER · Cell Reports Physical Science · 2025

Applying pretrained molecular representation for reaction prediction and efficient catalyst screening

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Applying pretrained molecular representation for reaction prediction and efficient catalyst screeningOriginalIntegrating equivariant architectures and charge supervision for data-efficient molecular property prediction1

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  1. Integrating equivariant architectures and charge supervision for data-efficient molecular property prediction

    Molecular Systems Design & Engineering · 2025-12-24

    Zixiao Yang, Hanyu Gao, Xian Kong

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