🔧 update exp.: repeated runs of full ald data

- dump config

project/config/appl_ald_data/plasma/proteinGroups/config_reps.yaml

@@ -0,0 +1,17 @@
+# config for Snakefile_v1
+config_split: config/appl_ald_data/plasma/proteinGroups/split.yaml
+config_train: config/appl_ald_data/plasma/proteinGroups/train_{model}.yaml
+folder_experiment: runs/appl_ald_data_2023_11/plasma/proteinGroups
+fn_rawfile_metadata: data/ALD_study/processed/raw_meta.csv
+file_format: pkl
+models:
+  - RSN
+  - Median # maps to median on file system?
+  - CF
+  - DAE
+  - VAE
+  - KNN
+NAGuideR_methods:
+  - QRILC
+  - RF
+  - TRKNN

project/workflow/Snakefile_ald_comparison_repeated.smk

@@ -3,7 +3,7 @@ Try to execute several time the same Snakemake workflow using another Snakemake
 
 - one by one? (-> one process at a time?)
 """
-folder_experiment = "runs/appl_ald_data/plasma/proteinGroups/reps"
+folder_experiment = "runs/appl_ald_data_2023_11/reps/plasma/proteinGroups"
 folder_run = folder_experiment + "/run_{run}"
 out_folder = folder_run + "/{sub_folder}/{target}"
 
@@ -44,7 +44,7 @@ rule compare_repetitions:
 
 rule run_comparison_workflow:
     input:
-        f"{folder_run}/figures/errors_binned_by_int_test.pdf",
+        f"{folder_run}/figures/2_1_test_errors_binned_by_feat_medians.pdf",
     output:
         excel=f"{out_folder}/equality_rejected_target.pkl",
         qvalues=f"{out_folder}/qvalues_target.pkl",
@@ -62,9 +62,9 @@ rule run_comparison_workflow:
 
 rule run_models:
     output:
-        f"{folder_run}/figures/errors_binned_by_int_test.pdf",
+        f"{folder_run}/figures/2_1_test_errors_binned_by_feat_medians.pdf",
     params:
-        configfile="config/appl_ald_data/plasma/proteinGroups/config.yaml",
+        configfile="config/appl_ald_data/plasma/proteinGroups/config_reps.yaml",
         folder_experiment=folder_run,
     shell:
         "snakemake --configfile {params.configfile}"