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Feature crossvalidation #3

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sfluegel05
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@sfluegel05 sfluegel05 commented Nov 22, 2023

This includes 2 feature branches:

  • old-chebi: Adds support for training sets based on chebi versions different from the test set, also adds support for setting a new chebi version altogether (including the test set)
  • crossvalidation: Adds a new command that allows doing an inner cross-validation with holdout test set and k models trained on k train/val splits

I am not pulling this into dev yet as it requires restructuring the data dir

@sfluegel05 sfluegel05 changed the base branch from dev to features-sfluegel November 22, 2023 09:15
@sfluegel05 sfluegel05 merged commit 08cb61e into ChEB-AI:features-sfluegel Nov 22, 2023
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@sfluegel05 sfluegel05 deleted the feature-crossvalidation branch November 22, 2023 09:17
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