Metal-organic framework (MOF) has relevance in extensive applications such as gas adsorption, separation, and energy storage. It constitutes metal nodes, organic linkers, and functional groups as its building units (BUs).
Here, we present the MOF Building Unit Developer (mBUD) package that extracts the BUs from a given MOF structure. The code for this package is available on our site. Along with this, the web-version of mBUD has also been provided.
We have employed mBUD to extract the BUs from the Computation-Ready, Experimental (CoRE) MOF 2019 database. The BUs database obtained from this analysis is provided for further utilization, such as application-specific MOF development.