Published August 26, 2021
| Version v1
Dataset
Open
Research data for "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks"
Authors/Creators
- 1. University of Oxford
Description
This dataset supports the paper: "Visualization and Quantification of Geometric Diversity in Metal-Organic Frameworks".
The coarse-grained scaled and unscaled structures are provided here in CIF format. The code introduced in this work is subject to continuing development (and can be found at: https://github.com/tcnicholas/coarse-graining), therefore we include here the version of the code used for this paper alongside the Python analysis scripts.
The original unprocessed CIFs were extracted from the Cambridge Structural Database (CSD).
Files
Research_Data_Nicholas_et_al_ChemMater_2021.zip
Files
(3.0 MB)
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md5:7fdb07d2d98a118da609458f04800151
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