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SpectrumWorld/opendatalab-experimental-nmr-peaks
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• Updated • 534k • 789
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SpectrumWorld/SA-MolNMR-SI-240K
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• Updated • 212k • 43
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SpectrumWorld/SA-MolNMR-Exp-1M
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• Updated • 1.17M • 41
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Preview
• Updated • 482
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alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 153
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alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 20
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• Updated • 1.17B • 2.45k
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• Updated • 10k • 14
Derify/augmented_canonical_pubchem_13m
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• Updated • 13.3M • 94
Derify/augmented_canonical_druglike_QED_43m
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• Updated • 42.8M • 72
Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 89
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• Updated • 10.2M • 53
karina-zadorozhny/ATOMICA
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• Updated • 343k • 767
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 8.7k
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• Updated • 34.6k • 284
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jablonkagroup/chempile-lift
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• Updated • 176M • 1.77k
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Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 69
futurehouse/ether0-benchmark
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• Updated • 325 • 488
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• Updated • 72M • 39
molport/In-stock-Database
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• Updated • 6.06M • 88
molport/In-stock-Building-Block-Database
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• Updated • 1.05M • 102
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molport/In-stock-Screening-Compound-Database
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• Updated • 5.4M • 52
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Derify/msr-acc-tae25-regression
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• Updated • 76.4k • 227
Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 64
molport/Drug-like-Compound-Library
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• Updated • 2.14M • 6
Derify/antimalarial-classification
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• Updated • 4.79k • 10
Derify/cocrystal-classification
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• Updated • 1.48k • 87
Derify/covid-19-classification
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• Updated • 2.6k • 10
gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 54
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 45