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jablonkagroup/chempile-code
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Updated
Aug 13, 2025
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2.27M
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332
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5
SandboxAQ/aqcat25-dataset
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Updated
Oct 30, 2025
•
11.1M
•
126
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38
yhayashi1986/PolyOmics
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Updated
8 days ago
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358k
•
1.7k
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19
Tc-43/novel_myosin_modulator_designs
Updated
Sep 16
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229
Tc-43/KRAS_CyclophilinA_MolecularGlue
Updated
Sep 16
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333
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
Sep 16
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398
Tc-43/WRNHelicase_Inhibitor
Updated
Sep 16
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113
Tc-43/ACE2-B0AT1
Updated
Sep 16
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237
Tc-43/Novel_NLRP3_Inhibitor_Designs
Updated
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487
zihaojing/MuMo-Finetuning
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Updated
Oct 29, 2025
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420k
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688
Kai-Zhu-2001/SelfTICA
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Updated
about 1 month ago
•
562
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531
Tc-43/HIF2_Inhibitor_synthetic
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Sep 16
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303
entropy4energy/S4E-MatForge
Updated
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•
200
Tc-43/CRBN_Binders
Updated
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426
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
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10k
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23
SZU-ADDG/ZINC-Curated
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Updated
Feb 22
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553M
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74
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2
openadmet/pxr-challenge-train-test
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Updated
Sep 28
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29.8k
•
1.08k
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17
SandboxAQ/aqvolt26-dataset-subset
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Updated
Apr 7
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457
•
46
introvoyz041/ZINC-Curated
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Updated
Mar 25
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553M
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364
introvoyz041/pxr-challenge-train-test
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Updated
Apr 1
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28.6k
•
55
Zhenghang04/DeepSeek_DrugSmiles
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Updated
May 21
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65
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3
microsoft/msr-acc-tae25
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Updated
Apr 24
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72.6k
•
162
•
10
Kaipengm2/CrystalX-dataset
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Apr 25
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56
anisiraj/comp-chem-quantum-chem
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May 31
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6.25k
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57
Anny0316/SelfTICA
Updated
Jun 20
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Tc-43/GID4_7SLZ_20260620
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1.57k
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44
JawLeighy/GoldDIGR
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Updated
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848
JawLeighy/GoldDIGR-calculation-intermediates
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Updated
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139
InfoBayAI/SMILES-QA-Dataset
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Updated
12 days ago
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3
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93
openadmet/cyp-challenge-train-test
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Updated
10 days ago
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35.5k
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4.08k
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16
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