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Predicting the highest phonon peak frequency of a crystal
Predict the frequency of the highest optical phonon peak of a crystal, in 1/cm, from its structure.
| # | 路线 | MAE (cm^-1) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (MegNet, kgcnn v2.1.0) | 28.7606 | 条形从这里开始 |