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This dataset contains the processed graph inputs and corresponding target labels used to train, validate, and independently evaluate the primary DefectGNN model. The data represent equiatomic atomic configurations encoded as graph for graph neural network regression.Each dataset includes a CSV file listing the serializ...
This dataset contains the processed graph inputs and corresponding target labels used to train, validate, and independently evaluate the primary DefectGNN model. The data represent equiatomic atomic configurations encoded as graph for graph neural network regression.Each dataset includes a CSV file listing the serializ...
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