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Created by Miquel Duran-Frigola@mduranDeveloper

Relevant things about the neig* class

Hi @oguitart and @mbertoni

Now that you are finishing with the k-nearest neighbors part. Some very important things:

  • A model should be saved both for the reference and the full dataset
  • We should keep the keys of the rows and the keys of the columns
  • We should be able to choose the type of distance (metric) that is used
  • We should be able to compare out-of-sample molecules without saving a model
  • We should harmonize the matrix so that no negative values are given

Let's talk about it tomorrow. This is a top priority now.