Structure classification of glass-forming liquids by graph neural networks: Explaining predictions with the Self-Attention mechanism
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https://zenodo.org/record/10060074
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资源简介：
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 data of figures in the article.
创建时间：
2024-02-22
