OD9 dataset part 02/28
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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.<br>
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figshare创建时间：
2020-10-15
