unifin/FlexMS
收藏Hugging Face2026-04-25 更新2026-05-03 收录
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https://hf-mirror.com/datasets/unifin/FlexMS
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资源简介：
这是一个为NeurIPS 2026准备的质谱分析数据集，包含多个配置，如gnps_random、gnps_scaffold、mist_canopus_split系列、massbank_scaffold和massspecgym。数据可能来源于GNPS、MIST_canopus、MassBank和MassSpecGym等平台，用于质谱相关的机器学习任务，如化合物识别或光谱预测。数据集分割为训练、验证和测试集，支持不同的数据划分策略（如随机和骨架分割）。
This is a mass spectrometry dataset prepared for NeurIPS 2026, featuring multiple configurations such as gnps_random, gnps_scaffold, mist_canopus_split series, massbank_scaffold, and massspecgym. The data likely originates from platforms like GNPS, MIST_canopus, MassBank, and MassSpecGym, and is intended for machine learning tasks in mass spectrometry, such as compound identification or spectrum prediction. The dataset is split into training, validation, and test sets, supporting different data partitioning strategies (e.g., random and scaffold splits).
提供机构：
unifin
