jablonkagroup/secs-in-house-dataset
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资源简介：
这是一个包含化学分子信息的 dataset，具体包含分子的SMILES表示（字符串类型）和氢核磁共振（h_nmr，浮点数类型）数据。数据集分为训练集和验证集，可用于机器学习模型的训练和评估。
This dataset contains chemical molecular information, specifically including the SMILES representation of molecules (string type) and hydrogen nuclear magnetic resonance (h_nmr, float type) data. The dataset is divided into training and validation sets for machine learning model training and evaluation.
提供机构：
jablonkagroup
