OD9 dataset
收藏Figshare2020-10-15 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/OD9_dataset/13089992/1
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资源简介：
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. <br>Beware the concaneted tar file is 141GB of compressed files.
创建时间：
2020-10-15
