smiles_77M_6_features.parquetcondition_GPT_77M_6C
收藏NIAID Data Ecosystem2026-05-02 收录
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资源简介：
File 1 : 77M molecules with calculated 6 features: molecular weight, number of non-hydrogen atoms, ring count, hydrophobicity, quantitative estimation of drug-likeness (QED), and synthetic accessibility score (SAS) File 2: Pre-trained parameters for a GPT like transformer based conditional molecule generator
创建时间：
2024-06-13
