Alex99Gsy/M-3_Multi-Modal-Molecule
收藏Hugging Face2024-06-20 更新2024-06-12 收录
下载链接：
https://hf-mirror.com/datasets/Alex99Gsy/M-3_Multi-Modal-Molecule
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资源简介：
M<sup>3</sup>-20M是一个大规模的多模态分子数据集，包含超过2000万个分子，旨在支持AI驱动的药物设计和发现。数据集提供了多种模态，如一维SMILES字符串、二维分子图、三维分子结构、物理化学性质和文本描述。它支持多种下游任务，如分子生成、分子性质预测、先导化合物优化、虚拟筛选、药代动力学建模和药物-靶点相互作用预测。数据集整合了来自多个来源的数据，提供了每个分子的全面视图。
M<sup>3</sup>-20M is a large-scale Multi-Modal Molecular dataset designed to support AI-driven drug design and discovery. It contains over 20 million molecules and includes various modalities such as one-dimensional SMILES strings, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and text descriptions. It supports diverse applications like molecule generation, molecular property prediction, lead optimization, virtual screening, pharmacokinetics modeling, and drug-target interaction prediction. The dataset is available for download from multiple sources including Google Drive, Baidu Cloud, and Hugging Face.
提供机构：
Alex99Gsy
原始信息汇总
数据集概述
许可证信息
- 许可证类型: MIT License
