More bug fixes for examples (bfcafcfd) · Commits · 钟慕尧 / deepchem

deepchem/molnet/load_function/qm8_datasets.py

+1 −1

Original line number	Diff line number	Diff line
		@@ -31,7 +31,7 @@ def load_qm8(featurizer='CoulombMatrix',
		if data_dir is None:
		data_dir = DEFAULT_DIR
		if save_dir is None:
		data_dir = DEFAULT_DIR
		save_dir = DEFAULT_DIR

		if reload:
		save_folder = os.path.join(save_dir, "qm8-featurized")

+1 −1

Original line number	Diff line number	Diff line
		@@ -33,7 +33,7 @@ def load_qm9(featurizer='CoulombMatrix',
		if data_dir is None:
		data_dir = DEFAULT_DIR
		if save_dir is None:
		data_dir = DEFAULT_DIR
		save_dir = DEFAULT_DIR

		if reload:
		save_folder = os.path.join(save_dir, "qm9-featurized")

+1 −1

Original line number	Diff line number	Diff line
		@@ -36,7 +36,7 @@ def load_sider(featurizer='ECFP',

		dataset_file = os.path.join(data_dir, "sider.csv.gz")
		if not os.path.exists(dataset_file):
		deepchem.utils.download_url(url=url, dest_dir=data_dir)
		deepchem.utils.download_url(url=SIDER_URL, dest_dir=data_dir)

		dataset = deepchem.utils.save.load_from_disk(dataset_file)
		logger.info("Columns of dataset: %s" % str(dataset.columns.values))

+4 −1

Original line number	Diff line number	Diff line
		@@ -41,7 +41,7 @@ def load_sweet(featurizer='ECFP',
		save_folder = os.path.join(save_folder, img_spec)
		save_folder = os.path.join(save_folder, str(split))

		loaded, all_dataset, transformers = deepchem.utils.save.load_dataset_from_disk(
		loaded, all_dataset, transformers = dc.utils.save.load_dataset_from_disk(
		save_folder)
		if loaded:
		return SWEET_tasks, all_dataset, transformers
		@@ -58,6 +58,9 @@ def load_sweet(featurizer='ECFP',
		else:
		raise ValueError("Other featurizations not supported")

		dataset_file = os.path.join(data_dir, "sweet.csv.gz")
		if not os.path.exists(dataset_file):
		dc.utils.download_url(SWEETLEAD_URL)
		loader = dc.data.CSVLoader(
		tasks=SWEET_tasks, smiles_field="smiles", featurizer=featurizer)
		dataset = loader.featurize(dataset_file)

+621 −619

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