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Active filters: quantum-chemistry

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22, 2025 • 2.32k • 4

molssiai-hub/pubchemqc-pm6

Updated Jul 22, 2025 • 522 • 1

microsoft/msr-acc-tae25

Viewer • Updated Apr 24 • 72.6k • 179 • 6

SiriusQuantum/qm7b-quantum-relabeled

Viewer • Updated May 29 • 400 • 126

SiriusQuantum/qm9-quantum-relabeled

Viewer • Updated May 29 • 400 • 36

anisiraj/comp-chem-quantum-chem

Viewer • Updated May 31 • 6.25k • 66

andreasburger/Hessians-LoT

Updated about 1 hour ago • 14

muhammadhasyim/equiv-dens-qm9

Viewer • Updated Jun 8 • 134k • 16

muhammadhasyim/equiv-dens-paper-molecules

Updated Jun 8 • 7

muhammadhasyim/equiv-dens-basis-assets

Updated Jun 8 • 7

muhammadhasyim/equiv-dens-qm7x

Updated Jun 8 • 17

SiriusQuantum/SQMolecular

Viewer • Updated 27 days ago • 10k • 187 • 1

Neura-parse/quantum-simulation-chemistry-materials

Viewer • Updated 21 days ago • 115k • 409

arifmohamedkhan/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

Updated 22 days ago • 837

mingxue2026/adc2_qm8

Updated 20 days ago • 21

SiriusQuantum/SQMolecular95k

Viewer • Updated 4 days ago • 94.4k • 57
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