QMOF Database

This repository hosts the Quantum MOF (QMOF) database – a dataset of quantum-chemical properties for over 14,000 metal–organic framework structures.<br>Please refer to the following GitHub repository for a description of the files hosted here, supplemental scripts, and other related information:https://github.com/arosen93/QMOF.<br>If you are looking to download any of these files to a compute cluster, you can avoid transferring them from your local machine by instead: 1) right-clicking the "download" link for the file you want; 2) selecting "copy link"; 3) running `wget https://ndownloader.figshare.com/files/######` (where this is the copied link) on the computer cluster; 4) after it downloads, renaming the file with the appropriate extension and unpacking it as usual.<br>The pre-print corresponding to this work can be found at: https://doi.org/10.26434/chemrxiv.13147616.<br>This work was supported in part by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences through the Nanoporous Materials Genome Center under Award Number DE-FG02-17ER16362.

本仓库托管量子金属有机骨架（Quantum MOF, QMOF）数据库——一款收录逾14000种金属有机骨架（metal–organic framework）结构量子化学性质的数据集。
如需了解本仓库所托管的文件、补充脚本及其他相关信息，请参阅下述GitHub仓库：https://github.com/arosen93/QMOF。
若需将本仓库中的文件下载至计算集群，可无需从本地机器传输文件，具体操作步骤如下：1) 右键点击目标文件的"download"链接；2) 选择"copy link"；3) 在计算集群上执行命令`wget https://ndownloader.figshare.com/files/######`（此处替换为复制的链接）；4) 下载完成后，为文件添加对应扩展名并按常规方式解压即可。
本研究的预印本可通过以下链接获取：https://doi.org/10.26434/chemrxiv.13147616。
本研究部分由美国能源部基础能源科学办公室化学科学、地球科学与生物科学分部通过纳米多孔材料基因组中心，依据授权编号DE-FG02-17ER16362资助。