Update evaluate for pad_batch (7010d1a8) · Commits · 钟慕尧 / deepchem

deepchem/utils/evaluate.py

+3 −3

Original line number	Diff line number	Diff line
		@@ -66,7 +66,7 @@ class Evaluator(object):
		csvwriter.writerow([mol_id] + list(y_pred))

		def compute_model_performance(self, metrics, csv_out=None, stats_out=None,
		threshold=None):
		threshold=None, pad_batch=False):
		"""
		Computes statistics of model on test data and saves results to csv.
		"""
		@@ -79,11 +79,11 @@ class Evaluator(object):
		else:
		mode = metrics[0].mode
		if mode == "classification":
		y_pred = self.model.predict_proba(self.dataset, self.output_transformers)
		y_pred = self.model.predict_proba(self.dataset, self.output_transformers, pad_batch=pad_batch)
		y_pred_print = self.model.predict(
		self.dataset, self.output_transformers).astype(int)
		else:
		y_pred = self.model.predict(self.dataset, self.output_transformers)
		y_pred = self.model.predict(self.dataset, self.output_transformers, pad_batch=pad_batch)
		y_pred_print = y_pred
		multitask_scores = {}