Formation Energy On Oqm9Hk
Metrics
MAE
Results
Performance results of various models on this benchmark
Model Name | MAE | Paper Title | Repository |
|---|---|---|---|
| CGNN Trio Ensemble | 0.03658 | OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | |
| SchNet | 0.31 | SchNet: A continuous-filter convolutional neural network for modeling quantum interactions | - |
| CGNN | 0.04249 ± 0.00037 | OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science | |
| CGNN Full Ensemble | 0.03433 | OQM9HK: A Large-Scale Graph Dataset for Machine Learning in Materials Science |
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