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How to use the megnet.data.graph.GraphBatchDistanceConvert function in megnet

To help you get started, we’ve selected a few megnet examples, based on popular ways it is used in public projects.

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materialsvirtuallab / megnet / megnet / models.py View on Github

def _create_generator(self, *args, **kwargs) -> Union[GraphBatchDistanceConvert, GraphBatchGenerator]:
        if hasattr(self.graph_converter, 'bond_converter'):
            kwargs.update({'distance_converter': self.graph_converter.bond_converter})
            return GraphBatchDistanceConvert(*args, **kwargs)
        else:
            return GraphBatchGenerator(*args, **kwargs)

materialsvirtuallab / megnet / megnet / models.py View on Github

def _create_generator(self, *args, **kwargs) -> Union[GraphBatchDistanceConvert, GraphBatchGenerator]:
        if hasattr(self.graph_converter, 'bond_converter'):
            kwargs.update({'distance_converter': self.graph_converter.bond_converter})
            return GraphBatchDistanceConvert(*args, **kwargs)
        else:
            return GraphBatchGenerator(*args, **kwargs)