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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.
| # | 路线 | MAE (eV) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (coGN) | 0.1559 | 条形从这里开始 |
Predict the PBE band gap of a crystal in eV from its structure, over 106,113 Materials Project entries.
| # | 路线 | MAE (eV) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (coGN) | 0.1559 | 条形从这里开始 |