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NeuralMD_ODE/MISATO_1000_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_1000_seed_22/model.pth

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NeuralMD_ODE/MISATO_1000_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_1000_seed_32/model.pth

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NeuralMD_ODE/MISATO_1000_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_1000_seed_42/model.pth

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NeuralMD_ODE/MISATO_100_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_100_seed_22/model.pth

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NeuralMD_ODE/MISATO_100_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_100_seed_32/model.pth

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NeuralMD_ODE/MISATO_100_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_1KTI_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_1KTI_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_1KTI_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_1XP6_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_1XP6_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_1XP6_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_3B9S_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_3B9S_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_3B9S_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_3EOV_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_3EOV_seed_32/hyperparameter.txt

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NeuralMD_ODE/MISATO_3EOV_seed_42/hyperparameter.txt

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NeuralMD_ODE/MISATO_4G3E_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_4K6W_seed_22/hyperparameter.txt

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NeuralMD_ODE/MISATO_4K6W_seed_32/hyperparameter.txt

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+--seed=32 --lr=1e-4 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4K6W --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0.001 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding01 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/NeuralMD_Binding01_AR/0.5_100_0.001_euler_1_100_use_MLP_velocity/1e-4_Adam_None_500_32

NeuralMD_ODE/MISATO_4K6W_seed_32/model.pth

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NeuralMD_ODE/MISATO_4K6W_seed_42/hyperparameter.txt

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+--seed=42 --lr=1e-4 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4K6W --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0.001 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding01 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/NeuralMD_Binding01_AR/0.5_100_0.001_euler_1_100_use_MLP_velocity/1e-4_Adam_None_500_42

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NeuralMD_ODE/MISATO_4YUR_seed_22/hyperparameter.txt

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+--seed=22 --lr=1e-4 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4YUR --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0.001 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding01 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4YUR/NeuralMD_Binding01_AR/0.5_100_0.001_euler_1_100_use_MLP_velocity/1e-4_Adam_None_500_22

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