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microsoft/msr-acc-tae25
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Updated
Apr 24
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72.6k
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152
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9
openadmet/cyp-challenge-train-test
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Updated
5 days ago
•
35.5k
•
2.6k
•
11
jablonkagroup/chempile-code
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Updated
Aug 13, 2025
•
2.27M
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490
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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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69
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38
yhayashi1986/PolyOmics
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Updated
25 days ago
•
182k
•
855
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19
Tc-43/novel_myosin_modulator_designs
Updated
13 days ago
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310
Tc-43/KRAS_CyclophilinA_MolecularGlue
Updated
13 days ago
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602
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
13 days ago
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367
Tc-43/WRNHelicase_Inhibitor
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189
Tc-43/ACE2-B0AT1
Updated
13 days ago
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629
Tc-43/Novel_NLRP3_Inhibitor_Designs
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13 days ago
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521
zihaojing/MuMo-Finetuning
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Updated
Oct 29, 2025
•
420k
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471
Kai-Zhu-2001/SelfTICA
Updated
19 days ago
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625
Tc-43/HIF2_Inhibitor_synthetic
Updated
13 days ago
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207
ytbai/hMOF-ML
Updated
1 day ago
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11
entropy4energy/S4E-MatForge
Updated
Dec 10, 2025
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51
Tc-43/CRBN_Binders
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13 days ago
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325
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
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10k
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16
SZU-ADDG/ZINC-Curated
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Updated
Feb 22
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553M
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153
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2
openadmet/pxr-challenge-train-test
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Updated
about 7 hours ago
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29.8k
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1.36k
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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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23
introvoyz041/ZINC-Curated
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Updated
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553M
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209
introvoyz041/pxr-challenge-train-test
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Updated
Apr 1
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28.6k
•
16
Zhenghang04/DeepSeek_DrugSmiles
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Updated
May 21
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51
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3
Kaipengm2/CrystalX-dataset
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Apr 25
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105
anisiraj/comp-chem-quantum-chem
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Updated
May 31
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6.25k
•
17
Anny0316/SelfTICA
Updated
Jun 20
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133
Tc-43/GID4_7SLZ_20260620
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Updated
13 days ago
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1.57k
•
102
JawLeighy/GoldDIGR
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Updated
Jun 28
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1.89k
JawLeighy/GoldDIGR-calculation-intermediates
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Updated
Jul 6
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140
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