OD9 dataset part 25/28

435 032 nwchem logfiles calculated thanks to the quchempedia BOINC project.DFT calculations (B3LYP / 321G)The first 184 158 molecules corresond to the recalculation of QM9 and PC9. The others are newly generated molecules with the EvoMol software.Beware the concaneted tar file is 141GB of compressed files.本数据集包含435032份NWChem日志文件，所有计算均依托QuChemPedia BOINC项目完成。本次计算采用密度泛函理论（Density Functional Theory, DFT）方法，泛函与基组设置为B3LYP / 321G。前184158个分子为QM9与PC9数据集的重新计算结果，剩余分子均通过EvoMol软件全新生成。请注意，拼接后的tar压缩归档文件总大小为141GB。