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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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734
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5
SandboxAQ/aqcat25-dataset
Viewer
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Updated
Oct 30, 2025
•
11.1M
•
123
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38
yhayashi1986/PolyOmics
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Updated
2 days ago
•
358k
•
1.49k
•
19
Tc-43/novel_myosin_modulator_designs
Updated
Sep 16
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216
Tc-43/KRAS_CyclophilinA_MolecularGlue
Updated
Sep 16
•
401
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
Sep 16
•
447
Tc-43/WRNHelicase_Inhibitor
Updated
Sep 16
•
173
Tc-43/ACE2-B0AT1
Updated
Sep 16
•
281
Tc-43/Novel_NLRP3_Inhibitor_Designs
Updated
Sep 16
•
509
zihaojing/MuMo-Finetuning
Viewer
•
Updated
Oct 29, 2025
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420k
•
632
Kai-Zhu-2001/SelfTICA
Viewer
•
Updated
24 days ago
•
562
•
649
Tc-43/HIF2_Inhibitor_synthetic
Updated
Sep 16
•
275
entropy4energy/S4E-MatForge
Updated
Dec 10, 2025
•
197
Tc-43/CRBN_Binders
Updated
Sep 16
•
386
yunhengzounvidia/geomconf-rlvr
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Updated
Feb 2
•
10k
•
20
SZU-ADDG/ZINC-Curated
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Updated
Feb 22
•
553M
•
71
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2
openadmet/pxr-challenge-train-test
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Updated
about 1 month ago
•
29.8k
•
1.18k
•
17
SandboxAQ/aqvolt26-dataset-subset
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•
Updated
Apr 7
•
457
•
44
introvoyz041/ZINC-Curated
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Updated
Mar 25
•
553M
•
220
introvoyz041/pxr-challenge-train-test
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•
Updated
Apr 1
•
28.6k
•
51
Zhenghang04/DeepSeek_DrugSmiles
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•
Updated
May 21
•
67
•
3
microsoft/msr-acc-tae25
Viewer
•
Updated
Apr 24
•
72.6k
•
239
•
10
Kaipengm2/CrystalX-dataset
Updated
Apr 25
•
64
anisiraj/comp-chem-quantum-chem
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Updated
May 31
•
6.25k
•
65
Anny0316/SelfTICA
Updated
Jun 20
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23
Tc-43/GID4_7SLZ_20260620
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Updated
Sep 16
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1.57k
•
44
JawLeighy/GoldDIGR
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Updated
Jun 28
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44
JawLeighy/GoldDIGR-calculation-intermediates
Preview
•
Updated
Jul 6
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127
InfoBayAI/SMILES-QA-Dataset
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•
Updated
6 days ago
•
3
•
113
openadmet/cyp-challenge-train-test
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Updated
4 days ago
•
35.5k
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4.03k
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16
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