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Derify/safe_druglike_QED_33m

Druglike QED 36M - SAFE Dataset This dataset is derived from Druglike molecule datasets for drug discovery. SAFE (sequential attachment-based fragment embedding) representations were generated using safe-mol (0.1.13). Dataset Overview: Source: SAFE representation: safe-mol (0.1.13) Total Entries: 33M SMILES

sourceHugging Facecc-by-4.0updated 2y agoView on Hugging Face

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fileREADME.md666 Bdownload

filetest_druglike_QED_36M_less_than_128_tokens.parquet35.7 MBdownload

filetrain_druglike_QED_36M_less_than_128_tokens.parquet837.0 MBdownload

fileval_druglike_QED_36M_less_than_128_tokens.parquet82.4 MBdownload

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