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@@ -156,6 +156,18 @@ In [`plot_benchmark_results.ipynb`](benchmark/plot_benchmark_results.ipynb) we p
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<img src="benchmark/figures/metrics_sun.png" alt="S.U.N. plot" width="410"/>
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<img src="benchmark/figures/metrics_rmsd.png" alt="RMSD plot" width="410"/>
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</p>
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For convenience, here are the **numerical results from Figs. 2e and 2f in the paper** (as well as Table D4 in the supplementary information):
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Model | % S.U.N. | RMSD
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------|----------|-------
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MatterGen | 38.57 | 0.021
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MatterGen MP20 | 22.27 | 0.110
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DiffCSP Alex-MP-20 | 33.27 | 0.104
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DiffCSP MP20 | 12.71 | 0.232
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CDVAE | 13.99 | 0.359
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FTCP | 0. | 1.492
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G-SchNet | 0.98 | 1.347
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P-G-SchNet | 1.29 | 1.360
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### Evaluate using your own reference dataset
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