Indices of the MD17 sub-samples
收藏Figshare2021-09-24 更新2026-04-08 收录
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https://figshare.com/articles/dataset/Indices_of_the_MD17_sub-samples/16660486/3
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资源简介：
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.
提供机构：
Ge, Fuchun; Dral, Pavlo O.; Pinheiro, Max; Ferré, Nicolas; Barbatti, Mario
创建时间：
2021-09-24
