diff --git a/deepchem/feat/base_classes.py b/deepchem/feat/base_classes.py index 3745421e00..4f2c28aadb 100644 --- a/deepchem/feat/base_classes.py +++ b/deepchem/feat/base_classes.py @@ -35,8 +35,7 @@ def featurize(self, datapoints, log_every_n=1000): Returns ------- - A numpy array containing a featurized representation of - `datapoints`. + A numpy array containing a featurized representation of `datapoints`. """ datapoints = list(datapoints) features = [] diff --git a/deepchem/feat/graph_features.py b/deepchem/feat/graph_features.py index 39e722f07d..b1f2e5d75f 100644 --- a/deepchem/feat/graph_features.py +++ b/deepchem/feat/graph_features.py @@ -352,9 +352,10 @@ class ConvMolFeaturizer(MolecularFeaturizer): References --------- + .. [1] Duvenaud, David K., et al. "Convolutional networks on graphs for - learning molecular fingerprints." Advances in neural information processing - systems. 2015. + learning molecular fingerprints." Advances in neural information + processing systems. 2015. Note ---- diff --git a/deepchem/feat/smiles_featurizers.py b/deepchem/feat/smiles_featurizers.py index bb4e7470b1..b31d93bf18 100644 --- a/deepchem/feat/smiles_featurizers.py +++ b/deepchem/feat/smiles_featurizers.py @@ -21,17 +21,17 @@ def create_char_to_idx(filename, verbose=False): """Creates a dictionary with character to index mapping. - Parameters - ---------- - filename: str, - Name of the file containing the SMILES strings - max_len: int, default 250 - Maximum allowed length of the SMILES string - smiles_field: str, default smiles - Field indicating the SMILES strings int the file. - verbose: bool, default True - Whether to print the progress - """ + Parameters + ---------- + filename: str, + Name of the file containing the SMILES strings + max_len: int, default 250 + Maximum allowed length of the SMILES string + smiles_field: str, default smiles + Field indicating the SMILES strings int the file. + verbose: bool, default True + Whether to print the progress + """ smiles_df = pd.read_csv(filename) char_set = set() for smile in smiles_df[smiles_field]: @@ -76,6 +76,7 @@ class SmilesToSeq(MolecularFeaturizer): def __init__(self, char_to_idx, max_len=250, pad_len=10, **kwargs): """Initialize this class. + Parameters ---------- char_to_idx: dict