chembricks/WB96MV-ORGANIC
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molssiai-hub/pubchemqc-b3lyp
Updated • 8.67k • 4
molssiai-hub/pubchemqc-pm6
Updated • 4.19k • 2
microsoft/msr-acc-tae25
Viewer • Updated • 72.6k • 293 • 7
SiriusQuantum/qm7b-quantum-relabeled
Viewer • Updated • 400 • 90
SiriusQuantum/qm9-quantum-relabeled
Viewer • Updated • 400 • 75
anisiraj/comp-chem-quantum-chem
Viewer • Updated • 6.25k • 26
andreasburger/Hessians-LoT
Updated • 39
muhammadhasyim/equiv-dens-qm9
Viewer • Updated • 134k • 51
muhammadhasyim/equiv-dens-paper-molecules
Updated • 65
muhammadhasyim/equiv-dens-basis-assets
Updated • 19
muhammadhasyim/equiv-dens-qm7x
Updated • 14
SiriusQuantum/SQMolecular
Viewer • Updated • 10k • 45 • 1
Neura-parse/quantum-simulation-chemistry-materials
Viewer • Updated • 115k • 127
arifmohamedkhan/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
Updated • 85
mingxue2026/adc2_qm8
Updated • 8
SiriusQuantum/SQMolecular95k
Viewer • Updated • 94.4k • 88
Ryukijano/sno14q-gqe-qsci-s4
Viewer • Updated • 109 • 65