DGLGraphTransformer + PNAModel
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | RET | r2 | -1.2750671160872682 |
| test | RET | pearsonr | 0.2612127839202843 |
| test | RET | spearmanr | 0.05565815573996161 |
| test | RET | explained_var | -0.13467174768658619 |
| test | RET | mean_squared_error | 1786.3203740802055 |
| test | RET | mean_absolute_error | 36.32905468839758 |
| test | RET_(V804L_mutant) | r2 | -0.18837986662960193 |
| test | RET_(V804L_mutant) | pearsonr | 0.3161106356246549 |
| test | RET_(V804L_mutant) | spearmanr | 0.2443350042622436 |
| test | RET_(V804L_mutant) | explained_var | 0.06453319356072862 |
| test | RET_(V804L_mutant) | mean_squared_error | 833.1016375812655 |
| test | RET_(V804L_mutant) | mean_absolute_error | 25.117658315321982 |
| test | RET_(Y791F_mutant) | r2 | -2.611255734677769 |
| test | RET_(Y791F_mutant) | pearsonr | 0.17850992324385437 |
| test | RET_(Y791F_mutant) | spearmanr | 0.01870245604114583 |
| test | RET_(Y791F_mutant) | explained_var | -0.2931487190997131 |
| test | RET_(Y791F_mutant) | mean_squared_error | 2517.0919507785497 |
| test | RET_(Y791F_mutant) | mean_absolute_error | 42.89210442845962 |