SpectrumWorld/molpuzzle-seed-datasets
收藏Hugging Face2025-07-31 更新2025-11-01 收录
下载链接：
https://hf-mirror.com/datasets/SpectrumWorld/molpuzzle-seed-datasets
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资源简介：
该数据集包含了分子的索引、SMILES表示、化学式以及红外光谱图、质谱图、碳核磁共振图和氢核磁共振图等图像信息。数据集分为训练集，共有216个示例，数据集大小为约18MB。
The dataset includes molecule index, SMILES representation, chemical formula, as well as images such as infrared spectroscopy, mass spectrum, carbon nuclear magnetic resonance, and hydrogen nuclear magnetic resonance. The dataset is split into a training set with a total of 216 examples, and the dataset size is approximately 18MB.
提供机构：
SpectrumWorld
