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v1.2.1

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@ddgunizar ddgunizar released this 31 Oct 17:47
e96f68d
  • NN solver are now set to 'lbfgs' by default in the MLPRegressor to work with small datasets
  • Thres_x is now set to 0.7 by default in the CURATE module
  • Fixing bug in the PREDICT module when using EVALUATE module (it was not showing the linear model equation)
  • Adding linear model equation in the REPORT module
  • Changing the threshold for correlated features in predict_utils to adjust to the new thres_x
  • Changing the way missing values are treated (previously filled with 0s, now using KNN imputer)
  • Adding .csv in --csv_test in case the user forgets to add it
  • Adding ROBERT score number in the REPORT module
  • Creating --descp_lvl to select which descriptors to use in the AQME-ROBERT workflow (interpret/denovo/full)
  • The AQME-ROBERT workflow now uses interpretable descriptors by default (--descp_lvl interpret)