Active filters: smiles
PatSnap/hiro-ocsr-real-24k
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• Updated • 24.7k • 17
• 5
Preview
• Updated • 432
• 15
alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 145
• 1
alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 39
• 2
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• Updated • 1.17B • 2.3k
• 4
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• Updated • 10k • 35
Derify/augmented_canonical_pubchem_13m
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• Updated • 13.3M • 40
Derify/augmented_canonical_druglike_QED_43m
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• Updated • 42.8M • 39
• 1
Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 73
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• Updated • 10.2M • 55
karina-zadorozhny/ATOMICA
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• Updated • 343k • 7.02k
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 19.6k
• 14
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• Updated • 34.6k • 232
• 2
jablonkagroup/chempile-lift
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• Updated • 176M • 8.27k
• 7
Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 69
• 1
futurehouse/ether0-benchmark
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• Updated • 325 • 3.74k
• 17
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• Updated • 72M • 28
molport/In-stock-Database
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• Updated • 6.31M • 92
molport/In-stock-Building-Block-Database
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• Updated • 1.26M • 89
• 1
molport/In-stock-Screening-Compound-Database
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• Updated • 5.45M • 55
• 1
Derify/msr-acc-tae25-regression
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• Updated • 76.4k • 24
Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 37
• 1
molport/Drug-like-Compound-Library
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• Updated • 2.14M • 5
Derify/antimalarial-classification
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• Updated • 4.79k • 25
Derify/cocrystal-classification
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• Updated • 1.48k • 15
Derify/covid-19-classification
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• Updated • 2.6k • 8
gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 64
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 169
• 4
jeffdekerj/bms-images-shards
Updated • 89
jeffdekerj/bms-images-shards-256
Updated • 14