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molssiai-hub/pubchemqc-b3lyp
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Jul 22, 2025
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2.32k
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4
molssiai-hub/pubchemqc-pm6
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Jul 22, 2025
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522
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1
microsoft/msr-acc-tae25
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Apr 24
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72.6k
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179
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SiriusQuantum/qm7b-quantum-relabeled
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May 29
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400
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126
SiriusQuantum/qm9-quantum-relabeled
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May 29
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400
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36
anisiraj/comp-chem-quantum-chem
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May 31
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6.25k
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66
andreasburger/Hessians-LoT
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muhammadhasyim/equiv-dens-qm9
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Jun 8
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134k
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muhammadhasyim/equiv-dens-paper-molecules
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Jun 8
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7
muhammadhasyim/equiv-dens-basis-assets
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Jun 8
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7
muhammadhasyim/equiv-dens-qm7x
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Jun 8
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17
SiriusQuantum/SQMolecular
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Updated
27 days ago
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10k
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187
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1
Neura-parse/quantum-simulation-chemistry-materials
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21 days ago
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115k
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409
arifmohamedkhan/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
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22 days ago
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837
mingxue2026/adc2_qm8
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20 days ago
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21
SiriusQuantum/SQMolecular95k
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4 days ago
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94.4k
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57