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jablonkagroup/chempile-code
Viewer
•
Updated
Aug 13, 2025
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2.27M
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800
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5
SandboxAQ/aqcat25-dataset
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Updated
Oct 30, 2025
•
11.1M
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128
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38
yhayashi1986/PolyOmics
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Updated
Sep 3
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182k
•
1.28k
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19
Tc-43/novel_myosin_modulator_designs
Updated
Sep 16
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185
Tc-43/KRAS_CyclophilinA_MolecularGlue
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384
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
Sep 16
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381
Tc-43/WRNHelicase_Inhibitor
Updated
Sep 16
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136
Tc-43/ACE2-B0AT1
Updated
Sep 16
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235
Tc-43/Novel_NLRP3_Inhibitor_Designs
Updated
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454
zihaojing/MuMo-Finetuning
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Updated
Oct 29, 2025
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420k
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617
Kai-Zhu-2001/SelfTICA
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•
Updated
21 days ago
•
562
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619
Tc-43/HIF2_Inhibitor_synthetic
Updated
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138
entropy4energy/S4E-MatForge
Updated
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•
197
Tc-43/CRBN_Binders
Updated
Sep 16
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258
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
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10k
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20
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
27 days ago
•
29.8k
•
1.23k
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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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39
introvoyz041/ZINC-Curated
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Updated
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553M
•
192
introvoyz041/pxr-challenge-train-test
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•
Updated
Apr 1
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28.6k
•
46
Zhenghang04/DeepSeek_DrugSmiles
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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
•
281
•
10
Kaipengm2/CrystalX-dataset
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Apr 25
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60
anisiraj/comp-chem-quantum-chem
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May 31
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6.25k
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63
Anny0316/SelfTICA
Updated
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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37
JawLeighy/GoldDIGR
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Jun 28
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JawLeighy/GoldDIGR-calculation-intermediates
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Updated
Jul 6
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117
InfoBayAI/SMILES-QA-Dataset
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2 days ago
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3
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114
openadmet/cyp-challenge-train-test
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Updated
1 day ago
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35.5k
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3.89k
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16
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