comparison.csv

model,description,fold_mean_test_mae_logS,fold_population_std_mae_logS,pooled_test_mae_logS,pooled_test_rmse_logS,pooled_test_r2
megan_original_30_epochs,"Earlier ordinal MEGAN, 30 epochs",0.9635577206358643,0.1533867264801656,0.9785407194009064,1.2202358629897618,0.6609159386600327
megan_accuracy,MEGAN: validation MAE selector,0.6651199284216276,0.09788957468317704,0.6612767972091728,0.8464543205062587,0.8368350550831313
megan_fidelity_constrained,MEGAN: validation polarity constraint,0.6758708596438058,0.10406736017344781,0.6768008058045244,0.8671565910016954,0.828756196534874
ablation_ordinal_long,"Ordinal, joint, longer training",0.8760800329776712,0.15325257259908043,0.8845523363441652,1.0958187369037957,0.7265378333167186
ablation_embedding_joint_32,"Embedding, joint, 32 units",0.7281962132068314,0.1345993543962997,0.7466975113588339,0.9540765318247005,0.7927062380653421
ablation_embedding_split_32,"Embedding, split, 32 units",0.6641315868250797,0.0864863533432274,0.6660055538956472,0.8577927611725248,0.8324345178768668
descriptor_svr,12 descriptors + SVR,0.7141216809003191,0.07313471433617007,0.7259556357234725,0.9701517048704762,0.7856620320877107
descriptor_morgan_rf,12 descriptors + Morgan + RF,0.6182134700780858,0.06685675766406625,0.6076685457235457,0.8068882688325951,0.851732279956919
descriptor_hgb,12 descriptors + gradient boosting,0.669452792290159,0.0747031120923625,0.6591594724816398,0.8734343723266254,0.8262677820839119
training_mean,Training mean,1.7653115930534633,0.40796248895545606,1.7640017192745425,2.217792850053925,-0.12011281145050767