Fast-HInt-ppi 0.2.3__tar.gz → 0.2.4__tar.gz

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Files changed (32) hide show
  1. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/Utils_HInt.py +1 -1
  2. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/PKG-INFO +1 -1
  3. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/PKG-INFO +1 -1
  4. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/setup.py +1 -1
  5. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/Fast_HInt.py +0 -0
  6. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/File_proteins.py +0 -0
  7. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/Scoring_HInt.py +0 -0
  8. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/__init__.py +0 -0
  9. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/get_good_inter_pae.py +0 -0
  10. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/__init__.py +0 -0
  11. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/calculate_mpdockq.py +0 -0
  12. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/clean_pdb.py +0 -0
  13. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/interface_assess.py +0 -0
  14. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/pi_score_utils.py +0 -0
  15. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/pisa_utils.py +0 -0
  16. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/run_piscore_wc.py +0 -0
  17. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/sc_utils.py +0 -0
  18. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/__init__.py +0 -0
  19. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/finalized_model_A.sav +0 -0
  20. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/finalized_model_B.sav +0 -0
  21. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/finalized_model_wc.sav +0 -0
  22. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/scaler_model_A.sav +0 -0
  23. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/scaler_model_B.sav +0 -0
  24. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/script_pi_score/svm_model/scaler_model_wc.sav +0 -0
  25. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/SOURCES.txt +0 -0
  26. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/dependency_links.txt +0 -0
  27. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/entry_points.txt +0 -0
  28. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/requires.txt +0 -0
  29. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/top_level.txt +0 -0
  30. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/MANIFEST.in +0 -0
  31. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/README.md +0 -0
  32. {fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/setup.cfg +0 -0
{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt/Utils_HInt.py RENAMED
@@ -1147,7 +1147,7 @@ def manager(jobs_pending, HInt_object, CPU, multi_scoring, Informations_dict, GP
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  free = max_vram - gpu_vram_used[gpu_id]
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  if job_vram <= free and (multi_job_per_gpu or len(jobs_running[gpu_id]) == 0) :
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- if interaction_type == "Compounds" or os.path.exists(f"{Path_Pickle_Feature}{interaction.strip().split(";")[-1]}.pkl") :
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+ if interaction_type == "Compounds" or os.path.exists(f"{Path_Pickle_Feature}/{interaction.strip().split(";")[-1]}.pkl") :
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  p = multiprocessing.Process(target=gpu_job_runner,
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  args=(gpu_id,
{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/Fast_HInt_ppi.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: Fast_HInt-ppi
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- Version: 0.2.3
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+ Version: 0.2.4
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  Summary: A tool to find homologous interactions and speed up AlphaFold-based structural modeling.
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  Home-page: https://github.com/Qrouger/HInt
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  Author: Quentin Rouger
{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: Fast_HInt-ppi
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- Version: 0.2.3
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+ Version: 0.2.4
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  Summary: A tool to find homologous interactions and speed up AlphaFold-based structural modeling.
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  Home-page: https://github.com/Qrouger/HInt
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  Author: Quentin Rouger
{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/setup.py RENAMED
@@ -4,7 +4,7 @@ from setuptools import setup
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  setup(
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  name='Fast_HInt-ppi',
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- version='0.2.3',
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+ version='0.2.4',
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  description=(
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  'A tool to find homologous interactions and speed up AlphaFold-based structural modeling.'
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  ),
{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/MANIFEST.in RENAMED
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{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/README.md RENAMED
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{fast_hint_ppi-0.2.3 → fast_hint_ppi-0.2.4}/setup.cfg RENAMED
File without changes