transferable-samplers/many-peptides-md
收藏Hugging Face2025-10-04 更新2025-11-01 收录
下载链接：
https://hf-mirror.com/datasets/transferable-samplers/many-peptides-md
下载链接
链接失效反馈官方服务：
资源简介：
ManyPeptidesMD数据集是一个包含21700个随机采样肽序列的分子动力学(MD)轨迹集合，用于支持分子模拟、分子动力学机器学习和未归一化密度采样的研究。数据集分为训练集、验证集和测试集，轨迹长度分别为200纳秒、5微秒和5皮秒。数据以多种格式提供，包括Webdataset和PDB文件。
The ManyPeptidesMD dataset is a collection of molecular dynamics (MD) trajectories for 21,700 randomly sampled peptide sequences, generated to support research in molecular simulation, machine learning for molecular dynamics, and unnormalized density sampling. The dataset is divided into training, validation, and testing sets with trajectory lengths of 200 ns, 5 μs, and 5 ps respectively. The data is provided in multiple formats, including Webdataset and PDB files.
提供机构：
transferable-samplers
