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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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336
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5
SandboxAQ/aqcat25-dataset
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Updated
Oct 30, 2025
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11.1M
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133
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38
yhayashi1986/PolyOmics
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9 days ago
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358k
•
1.59k
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19
Tc-43/novel_myosin_modulator_designs
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219
Tc-43/KRAS_CyclophilinA_MolecularGlue
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293
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
Sep 16
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391
Tc-43/WRNHelicase_Inhibitor
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Sep 16
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114
Tc-43/ACE2-B0AT1
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Sep 16
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223
Tc-43/Novel_NLRP3_Inhibitor_Designs
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423
zihaojing/MuMo-Finetuning
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420k
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694
Kai-Zhu-2001/SelfTICA
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Updated
Oct 4
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562
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492
Tc-43/HIF2_Inhibitor_synthetic
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306
entropy4energy/S4E-MatForge
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•
196
Tc-43/CRBN_Binders
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Sep 16
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423
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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303
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2
openadmet/pxr-challenge-train-test
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Updated
Sep 28
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29.8k
•
1.07k
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17
SandboxAQ/aqvolt26-dataset-subset
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Updated
Apr 7
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457
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45
introvoyz041/ZINC-Curated
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Updated
Mar 25
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553M
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351
introvoyz041/pxr-challenge-train-test
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Updated
Apr 1
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28.6k
•
61
Zhenghang04/DeepSeek_DrugSmiles
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May 21
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62
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3
microsoft/msr-acc-tae25
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Updated
Apr 24
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72.6k
•
165
•
10
Kaipengm2/CrystalX-dataset
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Apr 25
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50
anisiraj/comp-chem-quantum-chem
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May 31
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6.25k
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62
Anny0316/SelfTICA
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Jun 20
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Tc-43/GID4_7SLZ_20260620
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Sep 16
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1.57k
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43
JawLeighy/GoldDIGR
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Jun 28
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927
JawLeighy/GoldDIGR-calculation-intermediates
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Updated
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137
InfoBayAI/SMILES-QA-Dataset
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13 days ago
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3
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92
openadmet/cyp-challenge-train-test
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Updated
11 days ago
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35.5k
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4.02k
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16
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