mgyigit commited on
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54b2fde
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1 Parent(s): a7f8182

Update src/bin/PROBE.py

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  1. src/bin/PROBE.py +10 -5
src/bin/PROBE.py CHANGED
@@ -29,9 +29,8 @@ def run_probe(benchmarks, representation_name, representation_file_human, repres
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  ssi.protein_names = ssi.representation_dataframe['Entry'].tolist()
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  ssi.similarity_tasks = similarity_tasks
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  ssi.detailed_output = detailed_output
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- print("IN SIMILARITY CALC")
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  similarity_result = ssi.calculate_all_correlations()
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- print("OUT SIMILARITY CALC")
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  print(similarity_result)
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@@ -42,7 +41,9 @@ def run_probe(benchmarks, representation_name, representation_file_human, repres
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  fp.representation_dataframe = human_representation_dataframe
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  fp.representation_name = representation_name
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  fp.detailed_output = detailed_output
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- fp.pred_output()
 
 
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  if "family" in benchmarks:
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  print("\n\nDrug target protein family classification benchmark is running...\n")
@@ -50,13 +51,17 @@ def run_probe(benchmarks, representation_name, representation_file_human, repres
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  tfc.representation_name = representation_name
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  tfc.detailed_output = detailed_output
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  for dataset in family_prediction_dataset:
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- tfc.score_protein_rep(dataset)
 
 
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  if "affinity" in benchmarks:
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  print("\n\nProtein-protein binding affinity estimation benchmark is running...\n")
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  bae.skempi_vectors_path = representation_file_affinity
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  bae.representation_name = representation_name
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- bae.predict_affinities_and_report_results()
 
 
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  print("\n\nPROBE (Protein RepresentatiOn Benchmark) run is finished...\n")
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  return 0
 
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  ssi.protein_names = ssi.representation_dataframe['Entry'].tolist()
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  ssi.similarity_tasks = similarity_tasks
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  ssi.detailed_output = detailed_output
 
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  similarity_result = ssi.calculate_all_correlations()
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+ print("Similarity Result:")
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  print(similarity_result)
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  fp.representation_dataframe = human_representation_dataframe
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  fp.representation_name = representation_name
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  fp.detailed_output = detailed_output
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+ function_results = fp.pred_output()
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+ print("Function results:")
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+ print(function_results)
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  if "family" in benchmarks:
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  print("\n\nDrug target protein family classification benchmark is running...\n")
 
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  tfc.representation_name = representation_name
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  tfc.detailed_output = detailed_output
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  for dataset in family_prediction_dataset:
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+ family_result = tfc.score_protein_rep(dataset)
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+ print(f"Family results for {dataset}:")
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+ print(family_result)
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  if "affinity" in benchmarks:
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  print("\n\nProtein-protein binding affinity estimation benchmark is running...\n")
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  bae.skempi_vectors_path = representation_file_affinity
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  bae.representation_name = representation_name
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+ affinity result = bae.predict_affinities_and_report_results()
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+ print("Affinity Results:")
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+ print(affinity_result)
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  print("\n\nPROBE (Protein RepresentatiOn Benchmark) run is finished...\n")
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  return 0