Converts list of materials from molecular formula to one hot vectors
This python script converts set of molecular formulas into the One Hot Vector.
It reads a CSV file that contains a column named "Formula" . (Example file: 2d-materials-list.csv )
Then it converts it into a One Hot Vector (actually it is a count vector: it contains number of elements).
Writes the result in to a CSV file (OneHotVector.csv).
This information can be used as a descriptors for machine learning processes.
Code also plots the occurence counts of each element:
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