attempting affintiy stuff

This commit is contained in:
Tanushree Tunstall 2022-08-01 21:41:02 +01:00
parent 0d8979dfcb
commit ccc877e811
2 changed files with 151 additions and 47 deletions

View file

@ -55,7 +55,8 @@ common_cols = c("mutationinformation"
, "dst_mode"
, "mutation_info_labels"
, "sensitivity"
, "ligand_distance")
, "ligand_distance"
, "interface_dist")
all_colnames$`colnames(df3)`[grep("scaled", all_colnames$`colnames(df3)`)]
all_colnames$`colnames(df3)`[grep("outcome", all_colnames$`colnames(df3)`)]
@ -117,11 +118,13 @@ outcome_cols_affinity = c( "ligand_outcome"
cols_to_consider = colnames(df3)[colnames(df3)%in%c(common_cols
, raw_cols_stability
, scaled_cols_stability
, outcome_cols_stability)]
, outcome_cols_stability
, raw_cols_affinity
, scaled_cols_affinity
, outcome_cols_affinity)]
cols_to_extract = cols_to_consider[cols_to_consider%in%c(common_cols
, outcome_cols_stability)]
##############################################################
#####################
# Ensemble stability: outcome_cols_stability