python/dgllife/data/muv.py [120:157]:
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                                  smiles_to_graph=smiles_to_graph,
                                  node_featurizer=node_featurizer,
                                  edge_featurizer=edge_featurizer,
                                  smiles_column='smiles',
                                  cache_file_path=cache_file_path,
                                  load=load,
                                  log_every=log_every,
                                  init_mask=True,
                                  n_jobs=n_jobs)

        self.ids = [self.ids[i] for i in self.valid_ids]

    def __getitem__(self, item):
        """Get datapoint with index

        Parameters
        ----------
        item : int
            Datapoint index

        Returns
        -------
        str
            SMILES for the ith datapoint
        DGLGraph
            DGLGraph for the ith datapoint
        Tensor of dtype float32 and shape (T)
            Labels of the ith datapoint for all tasks. T for the number of tasks.
        Tensor of dtype float32 and shape (T)
            Binary masks of the ith datapoint indicating the existence of labels for all tasks.
        str, optional
            Id for the ith datapoint, returned only when ``self.load_full`` is True.
        """
        if self.load_full:
            return self.smiles[item], self.graphs[item], self.labels[item], \
                   self.mask[item], self.ids[item]
        else:
            return self.smiles[item], self.graphs[item], self.labels[item], self.mask[item]
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python/dgllife/data/pcba.py [117:154]:
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                                   smiles_to_graph=smiles_to_graph,
                                   node_featurizer=node_featurizer,
                                   edge_featurizer=edge_featurizer,
                                   smiles_column='smiles',
                                   cache_file_path=cache_file_path,
                                   load=load,
                                   log_every=log_every,
                                   init_mask=True,
                                   n_jobs=n_jobs)

        self.ids = [self.ids[i] for i in self.valid_ids]

    def __getitem__(self, item):
        """Get datapoint with index

        Parameters
        ----------
        item : int
            Datapoint index

        Returns
        -------
        str
            SMILES for the ith datapoint
        DGLGraph
            DGLGraph for the ith datapoint
        Tensor of dtype float32 and shape (T)
            Labels of the ith datapoint for all tasks. T for the number of tasks.
        Tensor of dtype float32 and shape (T)
            Binary masks of the ith datapoint indicating the existence of labels for all tasks.
        str, optional
            Id for the ith datapoint, returned only when ``self.load_full`` is True.
        """
        if self.load_full:
            return self.smiles[item], self.graphs[item], self.labels[item], \
                   self.mask[item], self.ids[item]
        else:
            return self.smiles[item], self.graphs[item], self.labels[item], self.mask[item]
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