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Predicting formation energy from crystal structure
Predict the DFT formation energy of a crystal in eV/atom from its structure, over 132,752 entries.
| # | 路线 | MAE (eV/atom) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (coGN) | 0.017 | 条形从这里开始 |
Predict the DFT formation energy of a crystal in eV/atom from its structure, over 132,752 entries.
| # | 路线 | MAE (eV/atom) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (coGN) | 0.017 | 条形从这里开始 |