| model,origin,variant,epoch,mae,mse,rmse,r2,pearson,spearman |
| Epoch 0: PCQMep2 → COSMOep10 + Kumo L,"Prior matched predictions, revalidated",initialization,0.0,0.5949363804813839,0.6140966524414051,0.7836431920468684,0.5269087892699238,0.7404267461665239,0.7325760677773465 |
| Published Rem3Di POLAR + Kumo L,New matched frozen probe,published_rem3di,,0.5958265571132529,0.5743262136877647,0.7578431326387834,0.5575473621174143,0.758446579233233,0.7322712013157006 |
| Monroe + Kumo L,"Prior matched predictions, revalidated",monroe,,0.5773536702967546,0.5555317769192204,0.745340041135065,0.5720263253400137,0.769669169313614,0.7593848432185831 |
| "Full model, epoch 1 + Kumo L",Matched continuation,full_model,1.0,0.5696909606760223,0.5547245373540145,0.7447983199188989,0.5726482110671777,0.7666972104083853,0.7550153413304472 |
| "Full model, epoch 2 + Kumo L",Matched continuation,full_model,2.0,0.5713461149366956,0.5599447369287389,0.7482945522511433,0.5686266445478998,0.764192464159005,0.7535820385284265 |
| "Full model, epoch 3 + Kumo L",Matched continuation,full_model,3.0,0.5765771130215955,0.5621888395462573,0.7497925310019148,0.5668978202331871,0.7646480649294121,0.7544081221458505 |
| "Full model, epoch 4 + Kumo L",Matched continuation,full_model,4.0,0.5684591175388081,0.5443628535599996,0.7378094967943958,0.5806307029303465,0.7708116372975498,0.7599003950683851 |
| "Full model, epoch 5 + Kumo L",Matched continuation,full_model,5.0,0.5773824390324314,0.5629292139605966,0.7502860880761395,0.5663274464545958,0.7638727815253175,0.7544979757080147 |
| "No denoising, epoch 1 + Kumo L",Matched continuation,no_denoising,1.0,0.5679006816531698,0.5465490177950899,0.739289535834973,0.5789465135104532,0.7708630504279436,0.758668554395148 |
| "No denoising, epoch 2 + Kumo L",Matched continuation,no_denoising,2.0,0.5758993195596881,0.5627633714823074,0.7501755604405594,0.5664552091097614,0.7636081549468595,0.7543839715107905 |
| "No denoising, epoch 3 + Kumo L",Matched continuation,no_denoising,3.0,0.5725654649352392,0.5613610315297551,0.7492403029267414,0.567535551598799,0.7637505884692655,0.7547863081726857 |
| "No decorrelation, epoch 1 + Kumo L",Matched continuation,no_decorrelation,1.0,0.5748354816309257,0.5652773252064417,0.7518492702706053,0.564518495391584,0.7634714724943965,0.7538622193758081 |
| "No decorrelation, epoch 2 + Kumo L",Matched continuation,no_decorrelation,2.0,0.5705823160815564,0.5592008919879223,0.7477973602440184,0.5691996919700724,0.7643595420049603,0.7542443502445492 |
| "No decorrelation, epoch 3 + Kumo L",Matched continuation,no_decorrelation,3.0,0.5752723486159756,0.56610121943789,0.7523969826081774,0.5638837791495726,0.7634270673679995,0.7543585796249364 |
| XGBoost-DFT,Published Solvaformer Table 1 (not rerun),literature,,0.621,0.65,0.806,0.499,0.722,0.722 |
| XGBoost-CFP,Published Solvaformer Table 1 (not rerun),literature,,0.749,0.889,0.943,0.315,0.592,0.561 |
| XGBoost-MMB,Published Solvaformer Table 1 (not rerun),literature,,0.71,0.831,0.912,0.36,0.616,0.591 |
| SolvBERT,Published Solvaformer Table 1 (not rerun),literature,,0.871,1.231,1.11,0.052,0.247,0.222 |
| MPNN,Published Solvaformer Table 1 (not rerun),literature,,0.668,0.746,0.864,0.425,0.724,0.693 |
| EquiformerV2,Published Solvaformer Table 1 (not rerun),literature,,0.691,0.858,0.926,0.345,0.626,0.606 |
| Solvaformer,Published Solvaformer Table 1 (not rerun),literature,,0.643,0.7,0.837,0.46,0.694,0.677 |
| MPNN+Charges,Published Solvaformer Table 1 (not rerun),literature,,0.629,0.667,0.817,0.486,0.721,0.71 |
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