Fast-HInt-ppi 0.1.4__tar.gz → 0.1.6__tar.gz

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Files changed (32) hide show
  1. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/Utils_HInt.py +1 -3
  2. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/finalized_model_A.sav +315 -0
  3. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/finalized_model_B.sav +315 -0
  4. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/finalized_model_wc.sav +315 -0
  5. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/scaler_model_A.sav +120 -0
  6. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/scaler_model_B.sav +120 -0
  7. fast_hint_ppi-0.1.6/Fast_HInt/script_pi_score/svm_model/scaler_model_wc.sav +120 -0
  8. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/PKG-INFO +5 -7
  9. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/SOURCES.txt +7 -0
  10. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/requires.txt +4 -6
  11. fast_hint_ppi-0.1.6/MANIFEST.in +1 -0
  12. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/PKG-INFO +5 -7
  13. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/setup.py +5 -7
  14. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/Fast_HInt.py +0 -0
  15. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/File_proteins.py +0 -0
  16. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/Scoring_HInt.py +0 -0
  17. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/__init__.py +0 -0
  18. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/get_good_inter_pae.py +0 -0
  19. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/__init__.py +0 -0
  20. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/calculate_mpdockq.py +0 -0
  21. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/clean_pdb.py +0 -0
  22. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/interface_assess.py +0 -0
  23. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/pi_score_utils.py +0 -0
  24. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/pisa_utils.py +0 -0
  25. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/run_piscore_wc.py +0 -0
  26. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/sc_utils.py +0 -0
  27. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/script_pi_score/svm_model/__init__.py +0 -0
  28. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/dependency_links.txt +0 -0
  29. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/entry_points.txt +0 -0
  30. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt_ppi.egg-info/top_level.txt +0 -0
  31. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/README.md +0 -0
  32. {fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/setup.cfg +0 -0
{fast_hint_ppi-0.1.4 → fast_hint_ppi-0.1.6}/Fast_HInt/Utils_HInt.py RENAMED
@@ -940,9 +940,7 @@ def Generate_first_batch(job_with_vram_length, GPU, multi_job_per_gpu) :
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  pynvml.nvmlInit()
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  handle = pynvml.nvmlDeviceGetHandleByIndex(int(GPU[0]))
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  mem_info = pynvml.nvmlDeviceGetMemoryInfo(handle)
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- max_vram = mem_info.total / 1024**3 #Gb
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- pynvml.nvmlShutdown()
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-
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+ vram = (mem_info.total / 1024**2) * 0.001 # GiB pynvml.nvmlShutdown()
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  gpu_vram_used = {gpu: 0.0 for gpu in GPU}
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  gpu_jobs = []
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