tjetka-ingenix/molecules-embd-demo
收藏Hugging Face2025-10-01 更新2025-10-25 收录
下载链接：
https://hf-mirror.com/datasets/tjetka-ingenix/molecules-embd-demo
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资源简介：
该数据集包含分子的多种属性信息，如InChI、InChI键、ChEMBL ID、PubChem CID、SMILES表示、CCD代码、名称等，还包括数据源和分子库的名称。此外，数据集还提供了分子的嵌入表示。数据集专为训练使用，包含大量的训练示例。
The dataset contains various molecular property information such as InChI, InChI key, ChEMBL ID, PubChem CID, SMILES representation, CCD code, name, etc., as well as the source of the dataset and the name of the molecular library. Moreover, the dataset provides molecular embedding representations. It is specifically designed for training purposes and includes a large number of training examples.
提供机构：
tjetka-ingenix
