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openadmet/cyp-challenge-train-test
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Updated
10 days ago
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35.5k
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3.05k
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12
microsoft/msr-acc-tae25
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Updated
Apr 24
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72.6k
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253
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9
jablonkagroup/chempile-code
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Updated
Aug 13, 2025
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2.27M
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915
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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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51
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38
yhayashi1986/PolyOmics
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Updated
about 1 month ago
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182k
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1.06k
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19
Tc-43/novel_myosin_modulator_designs
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18 days ago
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320
Tc-43/KRAS_CyclophilinA_MolecularGlue
Updated
18 days ago
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608
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
18 days ago
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373
Tc-43/WRNHelicase_Inhibitor
Updated
18 days ago
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179
Tc-43/ACE2-B0AT1
Updated
18 days ago
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657
Tc-43/Novel_NLRP3_Inhibitor_Designs
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18 days ago
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543
zihaojing/MuMo-Finetuning
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Oct 29, 2025
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420k
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421
Kai-Zhu-2001/SelfTICA
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24 days ago
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676
Tc-43/HIF2_Inhibitor_synthetic
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18 days ago
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207
entropy4energy/S4E-MatForge
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Dec 10, 2025
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36
Tc-43/CRBN_Binders
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18 days ago
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331
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
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10k
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13
SZU-ADDG/ZINC-Curated
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Updated
Feb 22
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553M
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91
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2
openadmet/pxr-challenge-train-test
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Updated
5 days ago
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29.8k
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1.1k
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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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24
introvoyz041/ZINC-Curated
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Updated
Mar 25
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553M
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131
introvoyz041/pxr-challenge-train-test
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Updated
Apr 1
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28.6k
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23
Zhenghang04/DeepSeek_DrugSmiles
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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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104
anisiraj/comp-chem-quantum-chem
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Updated
May 31
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6.25k
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16
Anny0316/SelfTICA
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Jun 20
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132
Tc-43/GID4_7SLZ_20260620
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Updated
18 days ago
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1.57k
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89
JawLeighy/GoldDIGR
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Updated
Jun 28
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537
JawLeighy/GoldDIGR-calculation-intermediates
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Updated
Jul 6
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143
Tc-43/nras-cypa-macrocyclic-glues-GA-II
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Updated
18 days ago
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180
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370
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