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/Francisella-tularensis/scaffold-split-train.csv.gz,32,ChempropModelBox,739935,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Francisella-tularensis/32/cache,,False,True,0.0,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-validation.csv.gz,10000,16,0.12588317692279816,0.516938771017399,0.6954019742202038
validation,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-validation.csv.gz,32,ChempropModelBox,739935,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Francisella-tularensis/32/cache,,False,True,0.0,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-validation.csv.gz,10000,16,0.13911816477775574,0.2963203237123644,0.5852028507710829
test,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-test.csv.gz,32,ChempropModelBox,739935,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-train.csv.gz,['smiles'],['pmic'],/nemo/lab/johnsone/home/users/johnsoe/projects/abx-discovery-strategy/models/spark-dv-2503/Francisella-tularensis/32/cache,,False,True,0.0,3,1e-05,3,8,/nemo/lab/johnsone/home/users/johnsoe/data/datasets/thomas-2018-spark-wt/Francisella-tularensis/scaffold-split-validation.csv.gz,10000,16,0.12272950261831284,0.3693269511911911,0.6347207507195295