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Add charge balance control to MASTML automatic descriptors (MAGPIE type) #157

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ddmorgan opened this issue Apr 28, 2018 · 0 comments
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@ddmorgan
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The idea is the take every element and its possible valence states and then check if charge balance is possible. One could have a variable which is yes/no or maybe [min charge balance error] which would typically be 0 but could be something else. Would have to add some bad compounds to training set to fit this.

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