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Contents:

  • DatasetGeneration/
    • Protein
    • ProteinPool
    • DatasetGenerator
  • Models/
    • BruteForce/
      • train_bruteforce_IP.py
      • train_bruteforce_FI.py
    • Sampling/
      • train_brutesimplified_IP.py
      • train_montecarlo_FI.py
    • TrainerIP
    • TrainerFI
  • Tests/
    • check_homodimer_energyranking.py
    • check_MC_pretrained_surface.py
    • check_param_state_dict_cuda.py
    • check_shape_distributions.py
    • check_torchFFT.py
    • run_pytorch_profiler.py
  • Utility/
    • PlotterFI
    • PlotterIP
    • SampleBuffer
    • TorchDataLoader
    • TorchDockingFFT
    • UtilityFunctions
    • ValidationMetrics
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