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chembricks/WB96MV-ORGANIC

Updated 10 days ago • 43 • 1

molssiai-hub/pubchemqc-b3lyp

Updated Jul 22, 2025 • 8.73k • 4

molssiai-hub/pubchemqc-pm6

Updated Jul 22, 2025 • 5.28k • 2

microsoft/msr-acc-tae25

Viewer • Updated Apr 24 • 72.6k • 335 • 7

SiriusQuantum/qm7b-quantum-relabeled

Viewer • Updated May 29 • 400 • 78

SiriusQuantum/qm9-quantum-relabeled

Viewer • Updated May 29 • 400 • 73

anisiraj/comp-chem-quantum-chem

Viewer • Updated May 31 • 6.25k • 32

andreasburger/Hessians-LoT

Updated 29 days ago • 49

muhammadhasyim/equiv-dens-qm9

Viewer • Updated Jun 8 • 134k • 54

muhammadhasyim/equiv-dens-paper-molecules

Updated Jun 8 • 66

muhammadhasyim/equiv-dens-basis-assets

Updated Jun 8 • 21

muhammadhasyim/equiv-dens-qm7x

Updated Jun 8 • 14

SiriusQuantum/SQMolecular

Viewer • Updated Jul 1 • 10k • 53 • 1

Neura-parse/quantum-simulation-chemistry-materials

Viewer • Updated Jul 7 • 115k • 130

arifmohamedkhan/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

Updated Jul 6 • 99

mingxue2026/adc2_qm8

Updated Jul 8 • 8

SiriusQuantum/SQMolecular95k

Viewer • Updated Jul 24 • 94.4k • 92

Ryukijano/sno14q-gqe-qsci-s4

Viewer • Updated 6 days ago • 109 • 70

sciai-lab/qmugsbin0x

Viewer • Updated 1 day ago • 182k