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I just found that the MSC is missing the probably most fundamental feature, namely answering the question which molecules are common to both sets, which are unique to A and which are unique to B.
The text was updated successfully, but these errors were encountered:
Currently the MSC only does a pairwise comparison for the given pairs and doesn't compare the whole sets against each other. Your feature request would require a whole set comparison which is currently not the purpose of the MSC. The pairwise counterpart of your request however is already implemented. You can choose the molecular descriptor "Equality" to get all pairs that are exactly equal.
I just found that the MSC is missing the probably most fundamental feature, namely answering the question which molecules are common to both sets, which are unique to A and which are unique to B.
The text was updated successfully, but these errors were encountered: