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jablonkagroup/chempile-code
Viewer
•
Updated
Aug 13, 2025
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2.27M
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681
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5
SandboxAQ/aqcat25-dataset
Viewer
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Updated
Oct 30, 2025
•
11.1M
•
122
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38
yhayashi1986/PolyOmics
Viewer
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Updated
3 days ago
•
358k
•
1.52k
•
19
Tc-43/novel_myosin_modulator_designs
Updated
Sep 16
•
220
Tc-43/KRAS_CyclophilinA_MolecularGlue
Updated
Sep 16
•
397
Tc-43/CyclinA_RXL_PPI_BLOCKER
Updated
Sep 16
•
439
Tc-43/WRNHelicase_Inhibitor
Updated
Sep 16
•
174
Tc-43/ACE2-B0AT1
Updated
Sep 16
•
282
Tc-43/Novel_NLRP3_Inhibitor_Designs
Updated
Sep 16
•
516
zihaojing/MuMo-Finetuning
Viewer
•
Updated
Oct 29, 2025
•
420k
•
627
Kai-Zhu-2001/SelfTICA
Viewer
•
Updated
25 days ago
•
562
•
628
Tc-43/HIF2_Inhibitor_synthetic
Updated
Sep 16
•
283
entropy4energy/S4E-MatForge
Updated
Dec 10, 2025
•
201
Tc-43/CRBN_Binders
Updated
Sep 16
•
413
yunhengzounvidia/geomconf-rlvr
Viewer
•
Updated
Feb 2
•
10k
•
20
SZU-ADDG/ZINC-Curated
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•
Updated
Feb 22
•
553M
•
70
•
2
openadmet/pxr-challenge-train-test
Viewer
•
Updated
about 1 month ago
•
29.8k
•
1.18k
•
17
SandboxAQ/aqvolt26-dataset-subset
Viewer
•
Updated
Apr 7
•
457
•
45
introvoyz041/ZINC-Curated
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•
Updated
Mar 25
•
553M
•
225
introvoyz041/pxr-challenge-train-test
Viewer
•
Updated
Apr 1
•
28.6k
•
51
Zhenghang04/DeepSeek_DrugSmiles
Preview
•
Updated
May 21
•
66
•
3
microsoft/msr-acc-tae25
Viewer
•
Updated
Apr 24
•
72.6k
•
210
•
10
Kaipengm2/CrystalX-dataset
Updated
Apr 25
•
64
anisiraj/comp-chem-quantum-chem
Viewer
•
Updated
May 31
•
6.25k
•
63
Anny0316/SelfTICA
Updated
Jun 20
•
20
Tc-43/GID4_7SLZ_20260620
Viewer
•
Updated
Sep 16
•
1.57k
•
41
JawLeighy/GoldDIGR
Preview
•
Updated
Jun 28
•
269
JawLeighy/GoldDIGR-calculation-intermediates
Preview
•
Updated
Jul 6
•
126
InfoBayAI/SMILES-QA-Dataset
Viewer
•
Updated
7 days ago
•
3
•
109
openadmet/cyp-challenge-train-test
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Updated
5 days ago
•
35.5k
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4.12k
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16
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