Active filters: smiles
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• Updated • 6.38M • 933
• 1
Preview
• Updated • 951
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alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 183
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alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 21
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• Updated • 1.17B • 2.03k
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• Updated • 10k • 13
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 • 118
Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 62
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• Updated • 10.2M • 22
karina-zadorozhny/ATOMICA
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• Updated • 343k • 740
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 3.88k
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• Updated • 34.6k • 212
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jablonkagroup/chempile-lift
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• Updated • 176M • 2.25k
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Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 85
futurehouse/ether0-benchmark
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• Updated • 325 • 348
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• Updated • 72M • 41
molport/In-stock-Database
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• Updated • 6.06M • 69
molport/In-stock-Building-Block-Database
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• Updated • 1.05M • 49
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molport/In-stock-Screening-Compound-Database
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• Updated • 5.4M • 122
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Derify/msr-acc-tae25-regression
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• Updated • 76.4k • 26
Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 94
molport/Drug-like-Compound-Library
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• Updated • 2.14M • 8
Derify/antimalarial-classification
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• Updated • 4.79k • 13
Derify/cocrystal-classification
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• Updated • 1.48k • 29
Derify/covid-19-classification
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• Updated • 2.6k • 39
gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 103
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 99
jeffdekerj/bms-images-shards
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jeffdekerj/bms-images-shards-256
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