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jablonkagroup/chempile-mlift
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6 days ago
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61.6M
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1.89k
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6
futurehouse/ether0-benchmark
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6 days ago
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325
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1.47k
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10
jablonkagroup/chempile-lift-merged
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6 days ago
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264M
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553
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zpn/zinc20
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Jan 6, 2023
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196
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alxfgh/PubChem10M_SELFIES
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May 6, 2023
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10M
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172
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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27
Derify/augmented_canonical_pubchem_13m
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Feb 22
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13.3M
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98
Derify/augmented_canonical_druglike_QED_43M
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Feb 22
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42.8M
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60
Derify/safe_druglike_QED_33M
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Feb 24
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33.6M
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38
Derify/safe_pubchem_10m
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Feb 24
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10.2M
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48
karina-zadorozhny/ATOMICA
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Apr 28
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343k
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380
ChemFM/MolLangBench
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May 27
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33.2k
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79
Derify/pubchem_10m_genmol_similarity
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17 days ago
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21.1M
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194