{"action":"created","issue":{"url":"https://api.github.com/repos/deepchem/deepchem/issues/1200","repository_url":"https://api.github.com/repos/deepchem/deepchem","labels_url":"https://api.github.com/repos/deepchem/deepchem/issues/1200/labels{/name}","comments_url":"https://api.github.com/repos/deepchem/deepchem/issues/1200/comments","events_url":"https://api.github.com/repos/deepchem/deepchem/issues/1200/events","html_url":"https://github.com/deepchem/deepchem/issues/1200","id":310056097,"node_id":"MDU6SXNzdWUzMTAwNTYwOTc=","number":1200,"title":"After the installation is successful, the test is wrong","user":{"login":"zhouhao-learning","id":24581773,"node_id":"MDQ6VXNlcjI0NTgxNzcz","avatar_url":"https://avatars1.githubusercontent.com/u/24581773?v=4","gravatar_id":"","url":"https://api.github.com/users/zhouhao-learning","html_url":"https://github.com/zhouhao-learning","followers_url":"https://api.github.com/users/zhouhao-learning/followers","following_url":"https://api.github.com/users/zhouhao-learning/following{/other_user}","gists_url":"https://api.github.com/users/zhouhao-learning/gists{/gist_id}","starred_url":"https://api.github.com/users/zhouhao-learning/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/zhouhao-learning/subscriptions","organizations_url":"https://api.github.com/users/zhouhao-learning/orgs","repos_url":"https://api.github.com/users/zhouhao-learning/repos","events_url":"https://api.github.com/users/zhouhao-learning/events{/privacy}","received_events_url":"https://api.github.com/users/zhouhao-learning/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":5,"created_at":"2018-03-30T12:37:42Z","updated_at":"2018-05-30T22:53:47Z","closed_at":null,"author_association":"NONE","body":"When I installed the successful deepchem with CONDA in the installation tutorial, the last step was to run the test, but when I tested it, there was a problem, as follows\r\n`ERROR: test_combined (deepchem.feat.tests.test_rdkit_grid_features.TestRdkitGridFeaturizer)\r\n----------------------------------------------------------------------\r\nTraceback (most recent call last):\r\n  File \"/project/git/deepchem/deepchem/feat/tests/test_rdkit_grid_features.py\", line 520, in test_combined\r\n    [self.protein_file])\r\n  File \"/project/git/deepchem/deepchem/feat/rdkit_grid_featurizer.py\", line 1327, in featurize_complexes\r\n    protein_pdb_lines)\r\n  File \"/project/git/deepchem/deepchem/feat/rdkit_grid_featurizer.py\", line 1302, in _featurize_complex\r\n    features_dict = self._transform(protein_pdb_file, ligand_file)\r\n  File \"/project/git/deepchem/deepchem/feat/rdkit_grid_featurizer.py\", line 1349, in _transform\r\n    protein_pdb, calc_charges=True, sanitize=self.sanitize)\r\n  File \"/project/git/deepchem/deepchem/utils/rdkit_util.py\", line 127, in load_molecule\r\n    Chem.SanitizeMol(my_mol)\r\nValueError: Sanitization error: Explicit valence for atom # 320 C, 5, is greater than permitted\r\n-------------------- >> begin captured stdout << ---------------------\r\nFeaturizing 0 / 1\r\nTIMING: Writing ligand took 0.000 s\r\nTIMING: Writing protein took 0.001 s\r\n\r\n--------------------- >> end captured stdout << ----------------------\r\n\r\n----------------------------------------------------------------------\r\nRan 510 tests in 445.373s\r\n\r\nFAILED (errors=1)\r\n\r\n`\r\n\r\nExcuse me, is this a mistake in the source code?\r\n\r\n    \r\n"},"comment":{"url":"https://api.github.com/repos/deepchem/deepchem/issues/comments/393345391","html_url":"https://github.com/deepchem/deepchem/issues/1200#issuecomment-393345391","issue_url":"https://api.github.com/repos/deepchem/deepchem/issues/1200","id":393345391,"node_id":"MDEyOklzc3VlQ29tbWVudDM5MzM0NTM5MQ==","user":{"login":"rbharath","id":1057676,"node_id":"MDQ6VXNlcjEwNTc2NzY=","avatar_url":"https://avatars3.githubusercontent.com/u/1057676?v=4","gravatar_id":"","url":"https://api.github.com/users/rbharath","html_url":"https://github.com/rbharath","followers_url":"https://api.github.com/users/rbharath/followers","following_url":"https://api.github.com/users/rbharath/following{/other_user}","gists_url":"https://api.github.com/users/rbharath/gists{/gist_id}","starred_url":"https://api.github.com/users/rbharath/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/rbharath/subscriptions","organizations_url":"https://api.github.com/users/rbharath/orgs","repos_url":"https://api.github.com/users/rbharath/repos","events_url":"https://api.github.com/users/rbharath/events{/privacy}","received_events_url":"https://api.github.com/users/rbharath/received_events","type":"User","site_admin":false},"created_at":"2018-05-30T22:53:47Z","updated_at":"2018-05-30T22:53:47Z","author_association":"MEMBER","body":"It looks like some of your data files might be missing from your install. Could you check to see that they're present and try adding them in if not?"}}
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