Datasets for "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules"

Yu Ziyang, Huang Wenbing and Liu Yang. (2025). Part of datasets for "UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules" published in ICML 2025, including the training and validation sets of PepMD and all test splits used in the paper.于子洋、黄文炳、刘阳于2025年发布的本数据集，是发表于2025年国际机器学习大会（International Conference on Machine Learning, ICML）的论文《UniSim：面向生物分子时间粗粒化动力学的统一模拟器》（UniSim: A Unified Simulator for Time-Coarsened Dynamics of Biomolecules）所使用的部分数据集，涵盖PepMD的训练集与验证集，以及该论文中采用的全部测试划分。