Merge branch 'fix/metrics_sklearn_1.4' into 'dev'

fix metrics for sklearn version 1.4.0

See merge request cdd/QSPRpred!167

qsprpred/models/metrics.py

@@ -3,6 +3,7 @@
 from abc import ABC, abstractmethod
 
 import numpy as np
+import sklearn
 from sklearn.metrics import get_scorer
 from sklearn.metrics._scorer import _BaseScorer
 
@@ -68,7 +69,17 @@ class probability predictions.
         """
         # Convert predictions to correct shape for sklearn scorer
         if isinstance(y_pred, list):
-            if self.scorer.__class__.__name__ == "_PredictScorer":
+
+            convert_to_discrete = False
+            if sklearn.__version__ < "1.4.0":
+                if self.scorer.__class__.__name__ == "_PredictScorer":
+                    convert_to_discrete = True
+            elif self.scorer._response_method == "predict":
+                    convert_to_discrete = True
+            elif "predict_proba" not in self.scorer._response_method:
+                    convert_to_discrete = True
+
+            if convert_to_discrete:
                 # convert to discrete values
                 y_pred = [np.argmax(yp, axis=1) for yp in y_pred]
             else: