molssiai-hub/pubchemqc-b3lyp download history

molssiai-hub/pubchemqc-b3lyp is a tabular regression dataset on the Hugging Face Hub. In the last 30 days it was downloaded 12,249 times (7,969 in the last 7 days), and 56,017 times in total. It ranks #2,529 among datasets by monthly downloads.

The presented “PubChemQC B3LYP/6-31G*//PM6” data set is composed of the electronic properties of 85,938,443 molecules, encompassing a broad spectrum of molecules from essential compounds to biomolecules with a molecular weight up to 1000. These molecules account for 94.0% of the original PubChem Com

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