Database of Building Units Generated by mBUD
收藏NIAID Data Ecosystem2026-03-12 收录
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资源简介：
The building unit (BU) database consists of all the unique BU extracted from the subset Computation-Ready, Experimental (CoRE) MOF 2019-ASR database. The subset of CoRE database consists of 9,268 MOF structures. We extracted 2,580 BUs ( including metal nodes, and organic linkers) from this subset. The provided database comprises both the experimental and computational BUs. Experimental BUs are essential for the visualization of the MOF chemistry. On the other hand, the computational BUs can be readily employed to construct MOF crystals computationally.
创建时间：
2021-07-22
