anthracenediones

Archive of anthracenediones containing sub-folders named after each compound and its net charge. Every compound's folder contains a total of 20 files distributed into three sub-directories reporting QM (QM/), FF (FF/), and MD (MD/) data.本蒽二酮类（anthracenediones）数据集存档包含若干子文件夹，各子文件夹以对应化合物及其净电荷命名。每个化合物对应的文件夹中共包含20个文件，被划分为三个子目录，分别存储QM（QM/）、FF（FF/）与MD（MD/）三类数据。