Some bugfixes (3a4304b3) · Commits · 钟慕尧 / deepchem

deepchem/models/multitask.py

+12 −0

Original line number	Diff line number	Diff line
		@@ -68,6 +68,18 @@ class SingletaskToMultitask(Model):
		y_pred[:, ind] = self.models[task].predict_on_batch(X)[:, 0]
		return y_pred

		def predict_proba_on_batch(self, X, n_classes=2):
		"""
		Concatenates results from all singletask models.
		"""
		n_tasks = len(self.tasks)
		N_samples = X.shape[0]
		y_pred = np.zeros((N_samples, n_classes*n_tasks))
		for ind, task in enumerate(self.tasks):
		y_pred[:, indn_classes:(ind+1)n_classes] = \
		self.models[task].predict_proba_on_batch(X)
		return y_pred

		def save(self):
		"""Save all models"""
		for task in self.tasks:

+6 −0

Original line number	Diff line number	Diff line
		@@ -52,6 +52,12 @@ class SklearnModel(Model):
		"""
		return self.raw_model.predict(X)

		def predict_proba_on_batch(self, X):
		"""
		Makes per-class predictions on batch of data.
		"""
		return self.raw_model.predict_proba(X)

		def predict_proba_on_batch(self, X):
		return self.raw_model.predict_proba(X)

+0 −1

Original line number	Diff line number	Diff line
		@@ -324,7 +324,6 @@ class TestOverfitAPI(TestAPI):
		}

		verbosity = "high"
		#classification_metric = Metric(metrics.roc_auc_score, verbosity=verbosity)
		classification_metric = Metric(metrics.accuracy_score, verbosity=verbosity)
		model = TensorflowModel(
		tasks, task_types, model_params, self.model_dir,

deleted100644 → 0

+0 −0

Empty file deleted.