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Zhenghang04/DrugDiscovery_SMILES_Dataset
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PatSnap/chemical-structure
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alxfgh/PubChem10M_SELFIES
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• Updated • 10M • 136
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alxfgh/PubChem10M_SELFIES_Tokenized
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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 • 20
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karina-zadorozhny/ATOMICA
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• Updated • 343k • 145
jablonkagroup/chempile-mlift
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• Updated • 51.5M • 1.53k
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jablonkagroup/chempile-lift
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Derify/pubchem_10m_genmol_similarity
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futurehouse/ether0-benchmark
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molport/In-stock-Database
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molport/In-stock-Building-Block-Database
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molport/In-stock-Screening-Compound-Database
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Derify/msr-acc-tae25-regression
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Derify/augmented_canonical_druglike_QED_Pfizer_15m
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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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summykai/chemistry-sft-ultra
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jeffdekerj/bms-images-shards
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