SOTA DFT energy prediction benchmarks and papers with code | WizwandBenchmarks
| Dataset Name | SOTA Method | Metric | Trend | | |
|---|
| AgAu | SchNet | MAE (Config, eV)0.3353 | | 17 | 1mo ago |
| KIM Si | SchNet | MAE (Config Level)0.3719 | | 17 | 1mo ago |
| ANI-Al | SchNet | MAE (Config, eV)0.0816 | | 13 | 1mo ago |
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