RPDGroup/DynoDB

A Dataset of Small Protein Conformational Ensembles from All-Atom Molecular Dynamics Simulations Authors Zilin Ren, Ying Hu, Xin Yang Dataset Overview This dataset, hereafter referred to as DynoDB, consists of 8,385 molecular dynamics (MD) trajectories of small proteins (5–100 amino acids). Each entry contains 1,000 ensemble frames extracted from 100 ns production runs, providing a systematic characterization of small protein conformational… See the full description on the dataset page: https://huggingface.co/datasets/RPDGroup/DynoDB.