Molecular Dynamics Trajectories for Polymer Electrolytes

该数据集包含了6286个关于非晶态聚合物电解质的分子动力学轨迹，总数据量达到了5.7太字节。该数据集通过公共接口设计，允许用户上传新的轨迹数据和分析功能，同时包含与离子传输相关的一系列计算属性。规模上，有5纳秒模拟的6286个轨迹和50纳秒模拟的134个轨迹。该数据集的任务是利用机器学习研究聚合物电解质的传输特性，并分析原始模拟数据。

This dataset contains 6286 molecular dynamics trajectories focused on amorphous polymer electrolytes, with a total data volume of 5.7 terabytes. Designed with a public interface, it enables users to upload new trajectory data and utilize analytical functions, while also incorporating a series of computed properties associated with ion transport. In terms of scale, the dataset includes 6286 trajectories generated via 5-nanosecond simulations and 134 trajectories from 50-nanosecond simulations. The tasks supported by this dataset involve investigating the transport properties of polymer electrolytes using machine learning approaches and analyzing the raw simulation data.