diff --git a/data/msp_file_extraction.py b/data/msp_file_extraction.py index 79fde9506b31350670841967677b7d60d62e5538..c27be7ae13b66ef4279a724c13a526656ba1a1de 100644 --- a/data/msp_file_extraction.py +++ b/data/msp_file_extraction.py @@ -70,16 +70,16 @@ if __name__ == '__main__': df['state'] = 'holdout' df.to_csv('spectral_lib/df_predicted_library_oktoberfest.csv',index=False) # - # updated_content=[] - # ind=0 - # predicted_lib=pd.read_csv('../output/out_lib_oktoberfest.csv') - # - # predicted_lib['seq'] = predicted_lib['seq'].map(numerical_to_alphabetical_str) - # - # predicted_lib['sequence']=predicted_lib['seq'] - # pred_rt=predicted_lib['rt pred'] - # - # df_joined = pd.merge(df,predicted_lib[['rt pred','sequence']],on='sequence',how='left') + updated_content=[] + ind=0 + predicted_lib=pd.read_csv('../output/out_lib_oktoberfest.csv') + + predicted_lib['seq'] = predicted_lib['seq'].map(numerical_to_alphabetical_str) + + predicted_lib['sequence']=predicted_lib['seq'] + pred_rt=predicted_lib['rt pred'] + + df_joined = pd.merge(df,predicted_lib[['rt pred','sequence']],on='sequence',how='left') #1787661 avec C , 15104040 sans \ No newline at end of file