遇见数据集

VIB5 database

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Figshare2021-12-10 更新2026-04-28 收录
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资源简介:

VIB5 database:Lina Zhang, Shuang Zhang, Alec Owens, Sergei N. Yurchenko, Pavlo O. Dral, "Accurate ab initio quantum chemical molecular potential energy surfaces", Sci. Data, 2021, submitted.VIB5.zip contains the database in json format.extraction_data.py is a script for extracting data from the VIB5 database in a convenient format. Run command to get help of how to use the script:python3 extraction_data.py -h

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2021-12-10
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