added my_data4 after outputting merged_df3 for pnca to test the ml models

ml_data/colnames_order.csv

@@ -0,0 +1,107 @@
+mutationinformation
+lineage_labels
+ligand_id
+wild_type
+wild_pos
+position
+mutant_type
+pyrazinamide
+drtype
+mutation_info_labels
+wt_prop_water
+mut_prop_water
+wt_prop_polarity
+mut_prop_polarity
+wt_calcprop
+mut_calcprop
+ligand_distance
+ligand_affinity_change
+duet_stability_change
+ddg_foldx
+deepddg
+ddg_dynamut2
+snap2_score
+snap2_accuracy_pc
+consurf_score
+consurf_colour
+consurf_colour_rev
+asa
+rsa
+ss_class
+kd_values
+rd_values
+af
+or_mychisq
+or_logistic
+or_fisher
+est_chisq
+contacts
+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
+vdwclashes_rr
+vdwclashes_mm
+vdwclashes_sm
+vdwclashes_ss
+volumetric_rr
+volumetric_mm
+volumetric_sm
+volumetric_ss
+affinity_scaled
+duet_scaled
+foldx_scaled
+deepddg_scaled
+ddg_dynamut2_scaled
+snap2_scaled
+consurf_scaled
+ligand_outcome
+duet_outcome
+foldx_outcome
+deepddg_outcome
+ddg_dynamut2_outcome
+snap2_outcome
+consurf_ci_upper
+consurf_ci_lower
+consurf_ci_colour
+consurf_msa_data
+consurf_aa_variety
+beta_logistic
+pval_logistic
+se_logistic
+zval_logistic
+ci_low_logistic
+ci_hi_logistic
+log10_or_mychisq
+pval_fisher
+neglog_pval_fisher
+ci_low_fisher
+ci_hi_fisher
+pval_chisq
+lineage
+mutation_info
+mut_3upper
+seq_offset4pdb
+id
+sample
+sublineage
+country_code
+geographic_source
+mutation
+chain
+ss
+wt_3upper
+wild_chain_pos
+pdb_file