遇见数据集

Indices of the MD17 sub-samples

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Figshare2021-09-22 更新2026-04-28 收录
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This data collection contains all the indices used to build the training data (for each repeat of the learning curves) selected as random sub-samples of the MD17 datasets. It also includes the equilibrium geometries used to build the RE descriptor of KREG model.

创建时间:
2021-09-22
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