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Version 3.2.0

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@martin-sicho martin-sicho released this 29 Aug 20:06
· 2 commits to main since this release
v3.2.0
2513259

Change Log

From v3.1.1 to v3.2.0

Fixes

  • Fixed a bug in ChempropModel that caused it not to work with missing values in the
    target column.

Changes

  • calibration_score is now implemented under the Metric class as CalibrationScore.

New Features

  • Added a range of new
    metrics: BEDROC, EnrichmentFactor, RobustInitialEnhancement,
    Prevalence, Sensitivity, Specificity, PositivePredictivity, NegativePredictivity,
    CohenKappa, BalancedPositivePredictivity, BalancedNegativePredictivity,
    BalancedMatthewsCorrcoeff, BalancedCohenKappa, KSlope, R20, KPrimeSlope,
    RPrime20, Pearson, Spearman, Kendall, AverageFoldError,
    AbsoluteAverageFoldError, PercentageWithinFoldError
  • Added MaskedMetric which can be wrapped around any metric to mask datapoints
    when a target value is missing.
  • Added a tutorial on model and data serialization.
  • ApplicabilityDomain now has a transform method that can be used to transform
    a dataset to a continuous applicability domain score, such as the distance to the
    nearest neighbor in the training set (an example was added to the
    tutorials).

Removed Features

None.

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