ADP Dataset CartNet
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资源简介：
The ADP (Anisotropic Displacement Parameters) dataset is curated from over 200,000 experimental crystal structures from the Cambridge Structural Database (CSD). This dataset is used to study atomic thermal vibrations represented through thermal ellipsoids. The dataset was curated to ensure high-quality and reliable ADPs. The dataset spans a wide temperature range (0K to 600K) and features a variety of atomic environments, with an average of 194.2 atoms per crystal structure. The dataset is split into 162,270 structures for training, 22,219 for validation, and 23,553 for testing.
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Zenodo创建时间：
2024-10-23
