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hheiden/molecular-depiction-pairs-20k
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• Updated • 39.9k • 50
• 1
Preview
• Updated • 364
• 15
alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 99
• 1
alxfgh/PubChem10M_SELFIES_Tokenized
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• Updated • 4.99M • 19
• 2
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• Updated • 1.17B • 6.82k
• 4
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• Updated • 10k • 10
Derify/augmented_canonical_pubchem_13m
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• Updated • 13.3M • 79
Derify/augmented_canonical_druglike_QED_43m
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• Updated • 42.8M • 295
• 1
Derify/safe_druglike_QED_33m
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• Updated • 33.6M • 31
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• Updated • 10.2M • 40
karina-zadorozhny/ATOMICA
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• Updated • 343k • 568
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 6.73k
• 14
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• Updated • 34.6k • 144
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jablonkagroup/chempile-lift
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• Updated • 176M • 895
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Derify/pubchem_10m_genmol_similarity
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• Updated • 21M • 112
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futurehouse/ether0-benchmark
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• Updated • 325 • 250
• 17
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• Updated • 72M • 57
molport/In-stock-Database
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• Updated • 6.27M • 131
molport/In-stock-Building-Block-Database
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• Updated • 1.25M • 48
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molport/In-stock-Screening-Compound-Database
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• Updated • 5.41M • 50
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Derify/msr-acc-tae25-regression
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• Updated • 76.4k • 43
Derify/augmented_canonical_druglike_QED_Pfizer_15m
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• Updated • 15.4M • 100
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molport/Drug-like-Compound-Library
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• Updated • 2.14M • 6
Derify/antimalarial-classification
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Derify/cocrystal-classification
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• Updated • 1.48k • 42
Derify/covid-19-classification
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• Updated • 2.6k • 22
gbyuvd/chemq3-molsim-sft-smiles
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• Updated • 777k • 46
summykai/chemistry-sft-ultra
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• Updated • 1.37M • 44
jeffdekerj/bms-images-shards
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jeffdekerj/bms-images-shards-256
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