Dataset and scripts for A Deep Dive into Machine Learning Density Functional ...
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This dataset contains additional data for the publication "A Deep Dive into Machine Learning Density Functional Theory for Materials Science and Chemistry". Its goal...
本数据集为学术论文《面向材料科学与化学的机器学习密度泛函理论（Machine Learning Density Functional Theory）深度解析》提供补充数据。其目标……
