mgyigit commited on
Commit
d3ffc4d
·
verified ·
1 Parent(s): 3054c11

Update src/bin/binding_affinity_estimator.py

Browse files
src/bin/binding_affinity_estimator.py CHANGED
@@ -191,6 +191,6 @@ def predict_affinities_and_report_results():
191
  multiplied_vectors_df = calculate_vector_multiplications(skempi_vectors_df)
192
  model = linear_model.BayesianRidge()
193
  result_df, result_detail_df = predictAffinityWithModel(model,multiplied_vectors_df)
194
- result_df.to_csv(r"../results/Affinity_prediction_skempiv1_{0}.csv".format(representation_name),index=False)
195
- result_detail_df.to_csv(r"../results/Affinity_prediction_skempiv1_{0}_detail.csv".format(representation_name),index=False)
196
 
 
191
  multiplied_vectors_df = calculate_vector_multiplications(skempi_vectors_df)
192
  model = linear_model.BayesianRidge()
193
  result_df, result_detail_df = predictAffinityWithModel(model,multiplied_vectors_df)
194
+ result_df.to_csv(os.path.join(script_dir, r"../results/Affinity_prediction_skempiv1_{0}.csv".format(representation_name)),index=False)
195
+ result_detail_df.to_csv(os.path.join(script_dir, r"../results/Affinity_prediction_skempiv1_{0}_detail.csv".format(representation_name)),index=False)
196