SiriusQuantum/SQMolecular
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molssiai-hub/pubchemqc-b3lyp
Updated • 693 • 4
molssiai-hub/pubchemqc-pm6
Updated • 1.87k • 1
microsoft/msr-acc-tae25
Viewer • Updated • 72.6k • 59 • 6
SiriusQuantum/qm7b-quantum-relabeled
Viewer • Updated • 400 • 57
SiriusQuantum/qm9-quantum-relabeled
Viewer • Updated • 400 • 62
anisiraj/comp-chem-quantum-chem
Viewer • Updated • 6.25k • 12
andreasburger/Hessians-LoT
Updated • 216
muhammadhasyim/equiv-dens-qm9
Viewer • Updated • 134k • 75
muhammadhasyim/equiv-dens-paper-molecules
Updated • 59
muhammadhasyim/equiv-dens-basis-assets
Updated • 55
muhammadhasyim/equiv-dens-qm7x
Updated • 39
Neura-parse/quantum-simulation-chemistry-materials
Viewer • Updated • 115k • 158
arifmohamedkhan/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
Updated • 10
mingxue2026/adc2_qm8
Updated