Quantum mechanical dipole moments in the QM7b, 21k molecules of QM9, and MuML showcase datasets
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下载链接：
https://archive.materialscloud.org/doi/10.24435/materialscloud:2k-3h
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资源简介：
Molecular dipole moments of the QM7b dataset, a random sample of 21'000 molecules from the QM9 dataset, and the MuML showcase set (including the four challenge series) described in the linked publication.
提供机构：
Materials Cloud
创建时间：
2020-06-10
