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SandboxAQ/aqcat25-dataset
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Updated
Oct 30, 2025
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11.1M
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140
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37
openadmet/pxr-challenge-train-test
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Updated
7 days ago
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29.5k
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2.74k
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15
jablonkagroup/chempile-code
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Updated
Aug 13, 2025
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2.27M
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444
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5
zihaojing/MuMo-Finetuning
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Updated
Oct 29, 2025
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420k
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455
Kai-Zhu-2001/SelfTICA
Updated
3 days ago
•
2.81k
entropy4energy/S4E-MatForge
Updated
Dec 10, 2025
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50
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
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10k
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27
SZU-ADDG/ZINC-Curated
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Updated
Feb 22
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553M
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2.32k
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2
SandboxAQ/aqvolt26-dataset-subset
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Updated
Apr 7
•
457
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42
introvoyz041/ZINC-Curated
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Updated
Mar 25
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553M
•
690
introvoyz041/pxr-challenge-train-test
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Updated
Apr 1
•
28.6k
•
56
Zhenghang04/DeepSeek_DrugSmiles
Updated
13 days ago
•
193
•
3
microsoft/msr-acc-tae25
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Updated
Apr 24
•
72.6k
•
387
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5
Kaipengm2/CrystalX-dataset
Updated
Apr 25
•
101
anisiraj/comp-chem-quantum-chem
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Updated
3 days ago
•
6.25k
•
110