DGLGraphTransformer + GCNModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | RET | r2 | -0.1926607696030216 |
| test | RET | pearsonr | 0.49024779491423554 |
| test | RET | spearmanr | 0.4398420934555638 |
| test | RET | explained_var | 0.16803810022671783 |
| test | RET | mean_squared_error | 936.4445633463826 |
| test | RET | mean_absolute_error | 19.879699049621827 |
| test | RET_(V804L_mutant) | r2 | -0.06505713171384042 |
| test | RET_(V804L_mutant) | pearsonr | 0.5542578287396902 |
| test | RET_(V804L_mutant) | spearmanr | 0.4905852119172247 |
| test | RET_(V804L_mutant) | explained_var | 0.22194318286480685 |
| test | RET_(V804L_mutant) | mean_squared_error | 746.6474866028364 |
| test | RET_(V804L_mutant) | mean_absolute_error | 17.62642172533624 |
| test | RET_(Y791F_mutant) | r2 | -0.40995924082752433 |
| test | RET_(Y791F_mutant) | pearsonr | 0.4626639083526941 |
| test | RET_(Y791F_mutant) | spearmanr | 0.41396528222734746 |
| test | RET_(Y791F_mutant) | explained_var | 0.15538568691413412 |
| test | RET_(Y791F_mutant) | mean_squared_error | 982.7598256010723 |
| test | RET_(Y791F_mutant) | mean_absolute_error | 21.795644506475508 |