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futurehouse/ether0-benchmark
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1 day ago
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280
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zpn/zinc20
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Jan 6, 2023
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205
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12
alxfgh/PubChem10M_SELFIES
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May 6, 2023
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10M
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182
alxfgh/PubChem10M_SELFIES_Tokenized
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Apr 30, 2023
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4.99M
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pvrancx/tyk2_fep
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Dec 30, 2023
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10k
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Derify/augmented_canonical_pubchem_13m
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Feb 22
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13.3M
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69
Derify/augmented_canonical_druglike_QED_43M
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42.8M
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36
Derify/safe_druglike_QED_33M
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Feb 24
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33.6M
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Derify/safe_pubchem_10m
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Feb 24
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10.2M
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31
karina-zadorozhny/ATOMICA
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Apr 28
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343k
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343
ChemFM/MolLangBench
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11 days ago
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33.2k
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182
Derify/pubchem_10m_genmol_similarity
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5 days ago
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19.5M
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79