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@jvalegre jvalegre released this 21 Nov 20:02
2.1.0
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Learn about vigilant mode.
  • In classification problems now we can use 2 different categorial class labels (e.g., "active"/"inactive").
  • Changing the way of selecting the 10 first initial points in Bayesian Optimization (now using Latin Hypercube Sampling)
  • Deleting first the most correlated features in CURATE module
  • Sorting the columns and rows in the csv files to ensure reproducibility
  • Using only KNN imputer if you have more than 100 datapoints
  • Fixing RFECV (each model now has its own set of descriptors after feature selection)
  • Fixing bug in the AQME module when using --csv_test
  • Changing pkg_resources to importlib.resources to avoid deprecation warnings
  • Fixed bug when selecting test set datapoints with the EVEN option
  • Fixed bug in the name of extra_q1 and extra_q5 splitting methods
  • Updating packages versions in setup.py
  • Molssi databases link in easyROB GUI
  • Default split is 'RND' for classification problems
  • The sklearn-intelex accelerator was removed
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