Dock2D
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
Dock2D
»
Tests/
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Tests/
Testing scripts and classes to check dataset, algorithm, and model functionality.
Contents:
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