Loading README.md +9 −5 Original line number Diff line number Diff line Loading @@ -274,9 +274,12 @@ Scaffold splitting | |graphconv regression|Random |0.996 |0.873 | | |MT-NN regression |Scaffold |0.782 |0.426 | | |graphconv regression|Scaffold |0.994 |0.606 | |nci |MT-NN regression |Index |0.890 |0.890 | | |MT-NN regression |Random |0.891 |0.888 | | |MT-NN regression |Scaffold |0.912 |0.020 | |nci |MT-NN regression |Index |0.171 |0.062 | | |graphconv regression|Index |0.123 |0.048 | | |MT-NN regression |Random |0.168 |0.085 | | |graphconv regression|Random |0.117 |0.076 | | |MT-NN regression |Scaffold |0.180 |0.052 | | |graphconv regression|Scaffold |0.131 |0.046 | |kaggle |MT-NN regression |User-defined|0.748 |0.452 | * General features Loading @@ -292,7 +295,7 @@ Number of tasks and examples in the datasets |toxcast |617 |8615 | |delaney |1 |1128 | |kaggle |15 |173065 | |nci |60 |1057371 | |nci |60 |19127 | Time needed for benchmark test(~20h in total) Loading Loading @@ -320,7 +323,8 @@ Time needed for benchmark test(~20h in total) | |graph convolution |80 |900 | |delaney |MT-NN regression |10 |40 | | |graphconv regression|10 |40 | |nci |MT-NN regression |2000 |30000 | |nci |MT-NN regression |400 |1200 | | |graphconv regression|400 |2500 | |kaggle |MT-NN regression |2200 |3200 | Loading examples/stable_results.csv +6 −0 Original line number Diff line number Diff line Loading @@ -22,6 +22,8 @@ 0,delaney,index,regression,train,tf_regression,0.7830983671,valid,tf_regression,0.5789729655,time_for_running,41.1367759705 0,delaney,index,regression,train,graphconvreg,0.9911206824,valid,graphconvreg,0.7892057714,time_for_running,101.8902909756 0,kaggle,None,regression,train,tf_regression,0.7480423542,valid,tf_regression,0.4516795145,time_for_running,3238.91535401 0,nci,index,regression,train,tf_regression,0.1705293978,valid,tf_regression,0.0623320607,time_for_running,1206.9139225483 0,nci,index,regression,train,graphconvreg,0.1232265163,valid,graphconvreg,0.0479731306,time_for_running,2324.3746082783 0,tox21,random,classification,train,tf,0.8565178786,valid,tf,0.7834036936,time_for_running,53.8197240829 0,tox21,random,classification,train,tf_robust,0.8549658589,valid,tf_robust,0.7735497329,time_for_running,88.9351768494 0,tox21,random,classification,train,logreg,0.9028113641,valid,logreg,0.7350604574,time_for_running,60.2267189026 Loading @@ -44,6 +46,8 @@ 0,pcba,random,classification,train,graphconv,0.872172184,valid,graphconv,0.8435271472,time_for_running,11502.8221002 0,delaney,random,regression,train,tf_regression,0.7791066217,valid,tf_regression,0.6164873014,time_for_running,35.6433098316 0,delaney,random,regression,train,graphconvreg,0.9951851944,valid,graphconvreg,0.8397307618,time_for_running,102.9403319359 0,nci,random,regression,train,tf_regression,0.167724376,valid,tf_regression,0.0846994662,time_for_running,1255.847104311 0,nci,random,regression,train,graphconvreg,0.1173603957,valid,graphconvreg,0.0762376225,time_for_running,2608.3014204502 0,tox21,scaffold,classification,train,tf,0.8626085326,valid,tf,0.7030201614,time_for_running,63.5685660839 0,tox21,scaffold,classification,train,tf_robust,0.8608722489,valid,tf_robust,0.7100530015,time_for_running,101.614424944 0,tox21,scaffold,classification,train,logreg,0.9004137009,valid,logreg,0.650190286,time_for_running,60.018599987 Loading @@ -66,3 +70,5 @@ 0,pcba,scaffold,classification,train,graphconv,0.8743221913,valid,graphconv,0.8166550236,time_for_running,14184.1512611 0,delaney,scaffold,regression,train,tf_regression,0.7893516465,valid,tf_regression,0.4218847009,time_for_running,35.2720739841 0,delaney,scaffold,regression,train,graphconvreg,0.992822139,valid,graphconvreg,0.5578625785,time_for_running,100.2594189644 0,nci,scaffold,regression,train,tf_regression,0.1804114788,valid,tf_regression,0.0517622004,time_for_running,1294.0389139652 0,nci,scaffold,regression,train,graphconvreg,0.1309050281,valid,graphconvreg,0.0458034089,time_for_running,2546.8053176403 Loading
README.md +9 −5 Original line number Diff line number Diff line Loading @@ -274,9 +274,12 @@ Scaffold splitting | |graphconv regression|Random |0.996 |0.873 | | |MT-NN regression |Scaffold |0.782 |0.426 | | |graphconv regression|Scaffold |0.994 |0.606 | |nci |MT-NN regression |Index |0.890 |0.890 | | |MT-NN regression |Random |0.891 |0.888 | | |MT-NN regression |Scaffold |0.912 |0.020 | |nci |MT-NN regression |Index |0.171 |0.062 | | |graphconv regression|Index |0.123 |0.048 | | |MT-NN regression |Random |0.168 |0.085 | | |graphconv regression|Random |0.117 |0.076 | | |MT-NN regression |Scaffold |0.180 |0.052 | | |graphconv regression|Scaffold |0.131 |0.046 | |kaggle |MT-NN regression |User-defined|0.748 |0.452 | * General features Loading @@ -292,7 +295,7 @@ Number of tasks and examples in the datasets |toxcast |617 |8615 | |delaney |1 |1128 | |kaggle |15 |173065 | |nci |60 |1057371 | |nci |60 |19127 | Time needed for benchmark test(~20h in total) Loading Loading @@ -320,7 +323,8 @@ Time needed for benchmark test(~20h in total) | |graph convolution |80 |900 | |delaney |MT-NN regression |10 |40 | | |graphconv regression|10 |40 | |nci |MT-NN regression |2000 |30000 | |nci |MT-NN regression |400 |1200 | | |graphconv regression|400 |2500 | |kaggle |MT-NN regression |2200 |3200 | Loading
examples/stable_results.csv +6 −0 Original line number Diff line number Diff line Loading @@ -22,6 +22,8 @@ 0,delaney,index,regression,train,tf_regression,0.7830983671,valid,tf_regression,0.5789729655,time_for_running,41.1367759705 0,delaney,index,regression,train,graphconvreg,0.9911206824,valid,graphconvreg,0.7892057714,time_for_running,101.8902909756 0,kaggle,None,regression,train,tf_regression,0.7480423542,valid,tf_regression,0.4516795145,time_for_running,3238.91535401 0,nci,index,regression,train,tf_regression,0.1705293978,valid,tf_regression,0.0623320607,time_for_running,1206.9139225483 0,nci,index,regression,train,graphconvreg,0.1232265163,valid,graphconvreg,0.0479731306,time_for_running,2324.3746082783 0,tox21,random,classification,train,tf,0.8565178786,valid,tf,0.7834036936,time_for_running,53.8197240829 0,tox21,random,classification,train,tf_robust,0.8549658589,valid,tf_robust,0.7735497329,time_for_running,88.9351768494 0,tox21,random,classification,train,logreg,0.9028113641,valid,logreg,0.7350604574,time_for_running,60.2267189026 Loading @@ -44,6 +46,8 @@ 0,pcba,random,classification,train,graphconv,0.872172184,valid,graphconv,0.8435271472,time_for_running,11502.8221002 0,delaney,random,regression,train,tf_regression,0.7791066217,valid,tf_regression,0.6164873014,time_for_running,35.6433098316 0,delaney,random,regression,train,graphconvreg,0.9951851944,valid,graphconvreg,0.8397307618,time_for_running,102.9403319359 0,nci,random,regression,train,tf_regression,0.167724376,valid,tf_regression,0.0846994662,time_for_running,1255.847104311 0,nci,random,regression,train,graphconvreg,0.1173603957,valid,graphconvreg,0.0762376225,time_for_running,2608.3014204502 0,tox21,scaffold,classification,train,tf,0.8626085326,valid,tf,0.7030201614,time_for_running,63.5685660839 0,tox21,scaffold,classification,train,tf_robust,0.8608722489,valid,tf_robust,0.7100530015,time_for_running,101.614424944 0,tox21,scaffold,classification,train,logreg,0.9004137009,valid,logreg,0.650190286,time_for_running,60.018599987 Loading @@ -66,3 +70,5 @@ 0,pcba,scaffold,classification,train,graphconv,0.8743221913,valid,graphconv,0.8166550236,time_for_running,14184.1512611 0,delaney,scaffold,regression,train,tf_regression,0.7893516465,valid,tf_regression,0.4218847009,time_for_running,35.2720739841 0,delaney,scaffold,regression,train,graphconvreg,0.992822139,valid,graphconvreg,0.5578625785,time_for_running,100.2594189644 0,nci,scaffold,regression,train,tf_regression,0.1804114788,valid,tf_regression,0.0517622004,time_for_running,1294.0389139652 0,nci,scaffold,regression,train,graphconvreg,0.1309050281,valid,graphconvreg,0.0458034089,time_for_running,2546.8053176403
