遇见数据集

smiles_77M_6_features.parquetcondition_GPT_77M_6C

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Figshare2024-06-13 更新2026-04-08 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)<br>File 2: Pre-trained parameters for a GPT like transformer based conditional molecule generator

提供机构:
Xing, Wen
创建时间:
2024-06-13
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