added function calls fro yc run_all_ML

2022-05-29 07:31:06 +01:00 · 2022-05-29 07:31:06 +01:00 · 429665795c
commit 429665795c
parent 7efade3736
3 changed files with 68 additions and 4 deletions
--- a/UQ_ML_data.py
+++ b/UQ_ML_data.py
@ -251,10 +251,10 @@ def setvars(gene,drug):
               , 'ddg_foldx'
               , 'deepddg'
               , 'ddg_dynamut2'
-               , 'mmcsm_lig']
-    
-    foldX_cols = ['contacts'
-    , 'electro_rr', 'electro_mm', 'electro_sm', 'electro_ss'
+               , 'mmcsm_lig'
+               , 'contacts']
+
+    foldX_cols = [ 'electro_rr', 'electro_mm', 'electro_sm', 'electro_ss'
    , 'disulfide_rr', 'disulfide_mm', 'disulfide_sm', 'disulfide_ss'
    , 'hbonds_rr', 'hbonds_mm', 'hbonds_sm', 'hbonds_ss'
    , 'partcov_rr', 'partcov_mm', 'partcov_sm', 'partcov_ss'