Expert-annotated dataset for band gap prediction

Here we present the dataset for "Toward Accurate Interpretable Predictions of Materials Properties within Transformer Language Models" (arXiv:2303.12188). The dataset_annotated.json file is organized as follows: { "JARVIS-DFT id": { "text": "text description of material generated within the Robocrystallographer library", "tokens": "sequence of tokens generated by the MatBERT tokenizer", "rationales": "rationales proposed by a domain expert", "label": "label predicted by the MatBERT model", }, ...: ..., }

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Lomonosov Moscow State University
Russian Federation

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