QM7b-T, GDB-13-T, TM-T, malonaldehyde, BBI, and short alkanes quantum chemistry dataset including MOB-ML features
收藏CaltechDATA2020-12-22 更新2026-04-16 收录
下载链接：
https://data.caltech.edu/records/1792
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资源简介：
MOB-ML features, HF energies, correlation energies, and structures. Data are provided for QM7b-T, GDB-13-T, TM-T, malonaldehyde, BBI, and short alkanes.
提供机构：
California Institute of Technology
创建时间：
2020-12-22
