Created
November 29, 2022 02:17
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| novo_test = pd.read_csv("test.csv") | |
| novo_test | |
| df_cavity = pd.read_csv('/content/gdrive/MyDrive/Kaggle/cavity_pred_CUSTOM_A.csv', low_memory=False) | |
| df_cavity = df_cavity.rename(columns={'variant': 'mutation_key'}) | |
| df_cavity | |
| novo_test2 = novo_test.copy().rename({'protein_sequence': 'mutant_seq', 'seq_id': 'source_df_id'}, axis = 1) | |
| novo_test2['sequence'] = 'VPVNPEPDATSVENVALKTGSGDSQSDPIKADLEVKGQSALPFDVDCWAILCKGAPNVLQRVNEKTKNSNRDRSGANKGPFKDPQKWGIKALPPKNPSWSAQDFKSPEEYAFASSLQGGTNAILAPVNLASQNSQGGVLNGFYSANKVAQFDPSKPQQTKGTWFQITKFTGAAGPYCKALGSNDKSVCDKNKNIAGDWGFDPAKWAYQYDEKNNKFNYVGK' | |
| novo_test2 = novo_test2.apply(find_mut,axis=1) | |
| novo_test2 = novo_test2.join(df_cavity.set_index('mutation_key'), on='mutation_key') | |
| novo_test2['scores'] = -novo_test2['score_ml_fermi'] | |
| novo_test2.loc[novo_test['scores'].isna(), 'scores'] = novo_test2.loc[~novo_test2['scores'].isna()].quantile(q=0.25)['scores'] | |
| novo_test2['scores_rank'] = rankdata(novo_test2['scores']) | |
| submission_rosetta_scores2 = novo_test2[['source_df_id','scores_rank', 'scores']] | |
| submission_rosetta_scores2 = submission_rosetta_scores2.rename({'source_df_id': 'seq_id', 'scores_rank': 'tm'}, axis = 1) | |
| submission_rosetta_scores2.to_csv('submission_rosetta_scores', index=False) | |
| submission_rosetta_scores2 | |
| preds2 = submission_rosetta_scores2.tm.values | |
| pY2 = pd.DataFrame(preds2, index=range(31390,len(preds)+31390), columns=['tm']) | |
| pY2 |
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