DFT的matlab源代码-CURATED-COFs:从实验数据库（CURATED）COF中自动跟踪，进行清洁，统一和完善的处理
DFT的matlab源代码
精心制作的COF
从文献中的实验数据库（CURATED）COF中自动跟踪，进行干净，统一和完善的自动跟踪。
该存储库包含来自文献搜索的原始结构，以及git跟踪的更正。
可在上获得具有DDEC费用的DFT优化框架。
cof-frameworks.csv包含cof-frameworks.csv列表
cof-discarded.csv包含因重复检测，未观察到的AA
/
AB堆叠变体，未观察到的n倍互穿或文档中报告的其他原因而被丢弃的cof-discarded.csv的列表。
cof-papers.csv包含用于在数据库中的COF的参考文件的列表：例如，
p0701是COF的基准07010N3
，
07011N3
，
07012N3和07013N3
cifs/包含cof-frameworks.csv和cof-discarded.csv列出的cof-frameworks.csv所有晶体学信息文件（CIF）。
该数据库建立在名为的工作之上。
结构标签
引用为
原始版本：
D.Ongari，AV
Yakutovich，L.Talirz和B.Smit，建立一个一致且可重现的
文件下载
资源详情
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