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Structure classification of glass-forming liquids by graph neural networks: Explaining predictions with the Self-Attention mechanism

<p>This repository includes the dataset and Python scripts used in the article, "Structure classification of glass-forming liquids by graph neural networks: Explaining predictions with the Self-Attention mechanism". The repository also includes source&nbsp;data of figures in the article.</p>

ShareScore

16/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
8
Reuse readiness
0
Engagement
0