DGLGraphTransformer + AttentiveFPModel
| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | RET | r2 | -0.02749090238043861 |
| test | RET | pearsonr | 0.043072023696497826 |
| test | RET | spearmanr | -0.02410615698920036 |
| test | RET | explained_var | -0.01715623354624074 |
| test | RET | mean_squared_error | 806.7577084322944 |
| test | RET | mean_absolute_error | 22.160465402042167 |
| test | RET_(V804L_mutant) | r2 | -0.046768737862511456 |
| test | RET_(V804L_mutant) | pearsonr | -0.0004940595489966828 |
| test | RET_(V804L_mutant) | spearmanr | 0.035265148185660365 |
| test | RET_(V804L_mutant) | explained_var | -0.028850480812857793 |
| test | RET_(V804L_mutant) | mean_squared_error | 733.8265938107994 |
| test | RET_(V804L_mutant) | mean_absolute_error | 20.839685050515566 |
| test | RET_(Y791F_mutant) | r2 | -0.05315978652279729 |
| test | RET_(Y791F_mutant) | pearsonr | 0.028405142514397075 |
| test | RET_(Y791F_mutant) | spearmanr | -0.026490260359219617 |
| test | RET_(Y791F_mutant) | explained_var | -0.02922105278018705 |
| test | RET_(Y791F_mutant) | mean_squared_error | 734.0659915287688 |
| test | RET_(Y791F_mutant) | mean_absolute_error | 21.219283976835364 |
