| split,split_filename,config_i,model_class,n_parameters,filename,features,labels,cache,extra_featurizers,use_2d,use_fp,dropout,ensemble_size,learning_rate,n_hidden,n_units,val_filename,epochs,batch_size,RMSE,Pearson r,Spearman rho | |
| train,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-train.csv.gz,105,FPMLPModelBox,54435,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Brucella-abortus/105/cache,,True,True,0.2,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-validation.csv.gz,10000,16,0.06257937848567963,0.5973702762367811,0.9137795379778116 | |
| validation,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-validation.csv.gz,105,FPMLPModelBox,54435,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Brucella-abortus/105/cache,,True,True,0.2,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-validation.csv.gz,10000,16,0.07030162960290909,0.4262736927741126,0.8603014671412592 | |
| test,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-test.csv.gz,105,FPMLPModelBox,54435,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Brucella-abortus/105/cache,,True,True,0.2,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Brucella-abortus/scaffold-split-validation.csv.gz,10000,16,0.07745077461004257,0.49197152542126255,0.9107798729695116 | |