smitathkr1/ord-reactions

该数据集包含化学反应的信息，具体字段包括反应ID、数据集ID、协议、数据集名称、数据集描述、反应物SMILES字符串列表、产物SMILES字符串列表和DOI（可能为空）。数据集被划分为训练集，包含大约237万个示例，总文件大小约为9.8GB。数据集的具体用途和详细描述在README文件中未提供。The dataset contains information about chemical reactions, including fields such as reaction ID, dataset ID, protocol, dataset name, dataset description, list of reactant SMILES strings, list of product SMILES strings, and DOI (possibly null). The dataset is split into a training set, containing approximately 2.37 million examples, with a total file size of about 9.8GB. The specific purpose and detailed description of the dataset are not provided in the README file.