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SpectrumWorld/opendatalab-experimental-nmr-peaks
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• Updated • 534k • 573
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SpectrumWorld/SA-MolNMR-SI-240K
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• Updated • 212k • 1
SpectrumWorld/SA-MolNMR-Exp-1M
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• Updated • 1.17M • 1
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• Updated • 489
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alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 190
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alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 22
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• Updated • 1.17B • 2.82k
• 4
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• Updated • 10k • 12
Derify/augmented_canonical_pubchem_13m
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• Updated • 13.3M • 105
Derify/augmented_canonical_druglike_QED_43m
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• Updated • 42.8M • 134
Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 92
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• Updated • 10.2M • 49
karina-zadorozhny/ATOMICA
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• Updated • 343k • 890
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 8.95k
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• Updated • 34.6k • 279
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jablonkagroup/chempile-lift
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• Updated • 176M • 2.03k
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Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 66
futurehouse/ether0-benchmark
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• Updated • 325 • 479
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• Updated • 72M • 37
molport/In-stock-Database
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• Updated • 6.06M • 86
molport/In-stock-Building-Block-Database
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• Updated • 1.05M • 67
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molport/In-stock-Screening-Compound-Database
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• Updated • 5.4M • 58
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Derify/msr-acc-tae25-regression
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• Updated • 76.4k • 228
Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 90
molport/Drug-like-Compound-Library
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• Updated • 2.14M • 5
Derify/antimalarial-classification
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• Updated • 4.79k • 8
Derify/cocrystal-classification
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• Updated • 1.48k • 89
Derify/covid-19-classification
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• Updated • 2.6k • 10
gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 61
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 53