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Predicting DFT band gaps from crystal structure
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
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基线保持在 MAE (eV) 0.1559。
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
基线保持在 MAE (eV) 0.1559。