SI for Predicting Dimensionality in Amine Templated Metal Oxides.
All files mentioned in the main text can be found in mentioned_in_text folder.
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AnalysisModule contains tools for:
- Calculating structural and molecular descriptors.
- Preparing data entries, e.g. disorder cleanup, organic-inorganic split.
- Routine functions supporting 1. and 2.
These tools were used in DataGeneration.
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MLModule contains a series of classes/functions used in DimPredict to predict dimensionality.
Folder Floats contains all codes/data used to generate figures. Note the numbering may differ from what is present in main text/SI.