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molssiai-hub
's Collections
Battery Research Datasets
Publications
PubChemQC Datasets
How-to Guides
PubChem Structures Dataset
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PubChemQC Datasets
updated
Dec 12, 2024
A collection of PubChemQC datasets
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molssiai-hub/pubchemqc-b3lyp
Updated
Jul 22, 2025
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2.35k
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molssiai-hub/pubchemqc-pm6
Updated
Jul 22, 2025
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343
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1
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