Fully enumerated randomized SMILES of Molecular Sets (MOSES)
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This database contains the 6,728,175,784 enumerated SMILES set of the 1,9 millions molecules contained in the MOSES database. it is partitioned in 100 parquet files with the following schema : smiles (str), which contains the canonical smiles of the molecule unique_smiles (str), which contains the unique randomized SMILES split (str), the set of smiles , i.e. training,test,scaffolds
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Zenodo创建时间：
2026-06-20
