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The molecular prediction is currently made by taking the average over associated random SMILES predictions by the model.
An added feature could be to take the median instead of the mean, in order to have a more robust statistic.
The text was updated successfully, but these errors were encountered:
The molecular prediction is currently made by taking the average over associated random SMILES predictions by the model.
An added feature could be to take the median instead of the mean, in order to have a more robust statistic.
The text was updated successfully, but these errors were encountered: