zpn/zinc20
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alxfgh/PubChem10M_SELFIES
Viewer • Updated • 10M • 106 • 1
alxfgh/PubChem10M_SELFIES_Tokenized
Viewer • Updated • 4.99M • 102 • 2
datamol-io/safe-gpt
Viewer • Updated • 1.17B • 2.05k • 5
pvrancx/tyk2_fep
Viewer • Updated • 10k • 26
Derify/augmented_canonical_pubchem_13m
Viewer • Updated • 13.3M • 41
Derify/augmented_canonical_druglike_QED_43m
Viewer • Updated • 42.8M • 40 • 1
Derify/safe_druglike_QED_33m
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Derify/safe_pubchem_10m
Viewer • Updated • 10.2M • 26
karina-zadorozhny/ATOMICA
Viewer • Updated • 343k • 7.23k
jablonkagroup/chempile-mlift
Viewer • Updated • 51.5M • 13.8k • 14
ChemFM/MolLangBench
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jablonkagroup/chempile-lift
Viewer • Updated • 176M • 4.89k • 7
Derify/pubchem_10m_genmol_similarity
Viewer • Updated • 21M • 44 • 1
futurehouse/ether0-benchmark
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Derify/druglike
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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
Viewer • Updated • 15.4M • 30 • 1
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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jeffdekerj/bms-images-shards-256
Updated • 5
nfsrulesFR/mega-moledit-522K
Viewer • Updated • 1.04M • 19