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nfsrulesFR/mega-moledit-522K
Viewer
•
Updated
Dec 4, 2025
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1.04M
•
8
nfsrulesFR/mega-moledit-large
Viewer
•
Updated
Dec 4, 2025
•
57.7M
•
2.06k
SpectrumWorld/opendatalab-experimental-nmr-peaks
Viewer
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Updated
Dec 8, 2025
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534k
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219
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1
fedeotto/nmiracle-datasets
Updated
Dec 10, 2025
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12
Derify/safe_druglike_QED_Pfizer_11m
Viewer
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Updated
Jan 1
•
11.4M
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15
Derify/ReactionSmiles
Viewer
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Updated
Jan 22
•
3.44M
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240
Hbye2231/In-stock-Database
Viewer
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Updated
Jan 7
•
5.89M
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11
hheiden/PubChem-124M-SMILES-SELFIES-InChI-IUPAC
Viewer
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Updated
Jan 13
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123M
•
4.06k
•
7
Carloriezo/MoE_expert_selection_trace
Viewer
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Updated
Jan 22
•
9.98M
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17
snehasis19/opendatalab-experimental-nmr-peaks
Viewer
•
Updated
Feb 2
•
534k
•
149
yunhengzounvidia/geomconf-rlvr
Viewer
•
Updated
Feb 2
•
10k
•
24
jpraise/Simeonov2008
Viewer
•
Updated
Feb 4
•
14.2k
•
13
SZU-ADDG/ZINC-Curated
Viewer
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Updated
Feb 22
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553M
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2.4k
•
2
levakrasnov/SoluBench
Viewer
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Updated
Mar 4
•
9.81k
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24
SZU-ADDG/MLM-Scaling-datasets
Preview
•
Updated
Mar 17
•
1.83k
wirthal1990-tech/USDA-Phytochemical-Database-JSON
Viewer
•
Updated
22 days ago
•
400
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286
•
1
juppy44/chembl-full
Viewer
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Updated
Mar 23
•
1.98k
•
44
introvoyz041/ZINC-Curated
Viewer
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Updated
Mar 25
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553M
•
900
th-laurel/PubChem-124M-SMILES-SELFIES-InChI-IUPAC
Viewer
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Updated
Apr 2
•
123M
•
51
YinkaiW/pubchem-faiss-library
Updated
Apr 6
•
58
lukaskim/MappedCRD
Viewer
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Updated
18 days ago
•
4.26M
•
174
Zhenghang04/DrugDiscovery_SMILES_Dataset
Updated
24 days ago
•
97
•
3
PatSnap/chemical-structure
Viewer
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Updated
14 days ago
•
1M
•
123
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2
KU-AGI/MolDesignBench
Viewer
•
Updated
13 days ago
•
2k
•
14
rahul24raj/lysos-amr-stage2
Viewer
•
Updated
10 days ago
•
223k
•
9
rahul24raj/lysos-amr-stage2-pro-v2
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•
Updated
10 days ago
•
394k
•
35
Crisying/rgroup-llm-vqa-benchmark
Viewer
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Updated
9 days ago
•
3.15k
•
26
neuripssubmission737/uspto_advanced_v1
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•
Updated
7 days ago
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292k
•
14
LG-AI-Research/MolDesignBench
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•
Updated
about 4 hours ago
•
2k
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