Active filters: smiles
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• Updated • 1.17B • 711
• 4
Preview
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alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 310
• 1
alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 23
• 2
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Derify/augmented_canonical_pubchem_13m
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Derify/augmented_canonical_druglike_QED_43m
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Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 89
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karina-zadorozhny/ATOMICA
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• Updated • 343k • 105
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 12.3k
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• Updated • 34.6k • 102
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jablonkagroup/chempile-lift
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• Updated • 176M • 1.97k
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Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 51
futurehouse/ether0-benchmark
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• Updated • 325 • 350
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molport/In-stock-Database
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molport/In-stock-Building-Block-Database
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• Updated • 969k • 31
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molport/In-stock-Screening-Compound-Database
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• Updated • 5.36M • 64
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Derify/msr-acc-tae25-regression
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Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 41
molport/Drug-like-Compound-Library
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Derify/antimalarial-classification
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Derify/cocrystal-classification
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Derify/covid-19-classification
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gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 11
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 28
jeffdekerj/bms-images-shards
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jeffdekerj/bms-images-shards-256
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nfsrulesFR/mega-moledit-522K
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• Updated • 1.04M • 15