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Datasets

11
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Active filters: small-molecules

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22, 2025 • 4.74k • 4

molssiai-hub/pubchemqc-pm6

Updated Jul 22, 2025 • 269 • 2

molssiai-hub/pubchem-07-23-2024

Updated Jul 22, 2025 • 25 • 1

molssiai-hub/pubchem-10-15-2024

Updated Jul 22, 2025 • 30

molssiai-hub/pm7

Viewer • Updated Nov 26, 2024 • 4.62k • 20

Metanova/SAVI-2020

Updated Sep 23, 2025 • 5.3k • 2

molssiai-hub/pubchem-02-21-2025

Updated Jul 22, 2025 • 28

molssiai-hub/pubchem-04-18-2025

Preview • Updated Mar 19 • 223

molssiai-hub/liquid-electrolytes

Viewer • Updated Jul 26, 2025 • 362k • 40

aptabench-anonymous/AptaBench_dataset

Viewer • Updated May 5 • 6.29k • 61

tiny226/SAVI-2020-NOVA

Updated May 14 • 129
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