Graph neural network-based structural classification of glass-forming liquids and its interpretation via self-attention mechanism
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This repository includes the input and output datasets, and Python scripts used in the article, "Graph neural network-based structural classification of glass-forming liquids and its interpretation via self-attention mechanism," of J. Chem. Phys.[DOI: 10.1063/5.0277279]
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Zenodo创建时间：
2025-06-26
