IrwinLab/LSD_MT1R_Stein_2020
收藏Hugging Face2025-05-16 更新2025-10-25 收录
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https://hf-mirror.com/datasets/IrwinLab/LSD_MT1R_Stein_2020
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资源简介：
这是一个包含分子对接结果和实验数据的集合，其中包含分子信息（如SMILES和zincid）、对接分数、以及与分子对接相关的多个物理化学特征。数据集分为三个配置：docking_results、invitro_results和poses_top500k，每个配置提供不同的数据视角和特征。
This is a collection of molecular docking results and experimental data, including molecular information (such as SMILES and zincid), docking scores, and a variety of physical and chemical features related to molecular docking. The dataset is divided into three configurations: docking_results, invitro_results, and poses_top500k, each providing different perspectives and features of the data.
提供机构：
IrwinLab
