attempting affintiy stuff
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2 changed files with 151 additions and 47 deletions
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@ -55,7 +55,8 @@ common_cols = c("mutationinformation"
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, "dst_mode"
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, "mutation_info_labels"
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, "sensitivity"
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, "ligand_distance")
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, "ligand_distance"
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, "interface_dist")
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all_colnames$`colnames(df3)`[grep("scaled", all_colnames$`colnames(df3)`)]
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all_colnames$`colnames(df3)`[grep("outcome", all_colnames$`colnames(df3)`)]
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@ -117,11 +118,13 @@ outcome_cols_affinity = c( "ligand_outcome"
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cols_to_consider = colnames(df3)[colnames(df3)%in%c(common_cols
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, raw_cols_stability
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, scaled_cols_stability
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, outcome_cols_stability)]
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, outcome_cols_stability
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, raw_cols_affinity
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, scaled_cols_affinity
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, outcome_cols_affinity)]
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cols_to_extract = cols_to_consider[cols_to_consider%in%c(common_cols
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, outcome_cols_stability)]
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##############################################################
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#####################
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# Ensemble stability: outcome_cols_stability
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