meaw0415/Meaw0415
收藏Hugging Face2025-11-06 更新2025-11-15 收录
下载链接：
https://hf-mirror.com/datasets/meaw0415/Meaw0415
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资源简介：
NMRGym是一个基于核磁共振(NMR)光谱的基准数据集，包含了经过清洗和预处理的分子条目，每个条目都配对了NMR光谱、结构指纹、官能团注释和毒性标签。数据集分为训练集、验证集和测试集，适用于多种光谱相关的预测任务。
NMRGym is a benchmark dataset based on NMR (Nuclear Magnetic Resonance) spectra, containing cleaned and preprocessed molecular entries, each paired with NMR spectra, structure fingerprints, functional group annotations, and toxicity labels. The dataset is divided into training, validation, and test sets, suitable for various spectroscopy-related prediction tasks.
提供机构：
meaw0415
