diff --git a/NeuralMD_SDE/MISATO_1000_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_1000_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..d3323eb3c9c5bea16bbbc7d2aecc9e08ed1f26fc
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_1000/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_100_22
diff --git a/NeuralMD_SDE/MISATO_1000_seed_22/model.pth b/NeuralMD_SDE/MISATO_1000_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..045e8e8af6116072bae261d938e88f87999aaf60
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:17b900974789277af9080100b6de6023b23384ebc91621264ca3b537f16e6bf3
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_1000_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_1000_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..1cc27ba6488b9f53789cd12badcf76a0762d6a0b
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_1000/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_100_32
diff --git a/NeuralMD_SDE/MISATO_1000_seed_32/model.pth b/NeuralMD_SDE/MISATO_1000_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..f03cae4f08e38971a9c2e1d24822e86ee8ad1537
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:dde0c482b7dfea3adf0f6dd9a83c260e2427d2c8b0839f6b657a4fda7d3e958c
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_1000_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_1000_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..b082bc0dfed194fcc629cb58e26fce1896f7e1d6
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_1000/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_100_42
diff --git a/NeuralMD_SDE/MISATO_1000_seed_42/model.pth b/NeuralMD_SDE/MISATO_1000_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..1e254a47fdbc2f324d190d22730a75badd2a3236
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1000_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1ad3e89a74eff5d0f2c83c5f6585478752cce13ba0fbeea527ddabaef8069cfd
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_100_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_100_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..cb337b60d6a43cc9ab46faffd3f3478c89151a7d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=8 --dataset=MISATO_100 --NeuralMD_step_size=5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_100/NeuralMD_Binding02/5_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_8_100_22
diff --git a/NeuralMD_SDE/MISATO_100_seed_22/model.pth b/NeuralMD_SDE/MISATO_100_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..684d7b0865a310a9979c22d0c046b43f63616991
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6c145529d54dd055c2b81ebeac941184d522d78d45a7e7c8a2765966ece9cb6d
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_100_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_100_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..7056353cd45ecc5fb6ea64268ef8e4ab0ae4f437
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=8 --dataset=MISATO_100 --NeuralMD_step_size=5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_100/NeuralMD_Binding02/5_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_8_100_32
diff --git a/NeuralMD_SDE/MISATO_100_seed_32/model.pth b/NeuralMD_SDE/MISATO_100_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..943ec8a24add8f412f562bcd298afacb7f485cf9
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:03cacafb14dd04f4b4b7103d108daab18318b7698c574db8e77e1f5e396839f1
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_100_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_100_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..daa93110ebe4afc9dca031bae373eb0bf6d92a4d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=100 --batch_size=8 --dataset=MISATO_100 --NeuralMD_step_size=5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO_100/NeuralMD_Binding02/5_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_8_100_42
diff --git a/NeuralMD_SDE/MISATO_100_seed_42/model.pth b/NeuralMD_SDE/MISATO_100_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..dfb18c0035a6b23805bc906fc73c97be59ccdb2a
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_100_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:81b08ab43f911b8696a7b182b7b9a037aa34aec281344bc95c6e5b6113dcf406
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_1KTI_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..6f482c098a54ebbc7bd8fd12429527fa7c9cd773
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_22/model.pth b/NeuralMD_SDE/MISATO_1KTI_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..9f6db22bb26efe013c421099262086339ea47418
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:a59a7374fc3db02cc416d0bdfcfb6734d0fddc36d68f1814298886a5360807ba
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_1KTI_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..4ba1cde52b8fb71e430b10007e3142eaf457d751
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_32/model.pth b/NeuralMD_SDE/MISATO_1KTI_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..305f61b60374d224965d3654be7606c4b1b63cd6
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4727639b848ee879f081b08fbd4545fd7d799c3f987440864bc16ae15b756c93
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_1KTI_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..5c7b5b4bcd9a85257a7de5d67ccd1541daba20dc
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_1KTI_seed_42/model.pth b/NeuralMD_SDE/MISATO_1KTI_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..55b7d9834fcc4dfc0a7221dd85967fdd4e6d95c5
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1KTI_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:7109676094f408f5449f6a886d6223997d7664e00cdf3c37c4dfa56c13665ae3
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_1XP6_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..96defb7bca76f8cb3c5acad2d80e76cb70e12a46
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_22/model.pth b/NeuralMD_SDE/MISATO_1XP6_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..94a9e77c966bf526a3a3a3ed24b9f00a0147501f
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0aea0fc86a47a282f598ab4701a7aece4882121fe023db9d016240a7db32cada
+size 13096138
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_1XP6_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..61997062b98a560baf17e5442432d2b001d81bb0
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_32/model.pth b/NeuralMD_SDE/MISATO_1XP6_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..bdd1e547059dad5216d1b385db226ec7d5d680c1
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:5c7f7da2b49705d699246ff50ab528a3bda90565575aeb62d3304d56185c42d7
+size 13096138
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_1XP6_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..d5de6899107d72d9633fc652cc10acfe9cff2ffd
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_1XP6_seed_42/model.pth b/NeuralMD_SDE/MISATO_1XP6_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..9e11462f8245797a655a7c7030cc3e2f9ca2ea28
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_1XP6_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:0ea61ef731d85fe5c69bbdbe1988f24cf82d4d441aa91901d1302b5156f9e919
+size 13096138
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_3B9S_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..5d4aaab80f50b5407c04664f08d0e901af5f620f
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_22/model.pth b/NeuralMD_SDE/MISATO_3B9S_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..589d484a8fcc00d59a89b1f739258c3f06bcd76a
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b1cc606d1d4389b8c5dbc63fce04bfc46ee87977ea2c726ce3ff9266b4444024
+size 13095882
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_3B9S_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..45401215cda17daad8b4f6df1bd3eb18dc0a7fd8
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_32/model.pth b/NeuralMD_SDE/MISATO_3B9S_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..83c7c4a81d9bbfbaa535e6d5bdb5657214943676
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4a611ca646a7ef9b8592da45f787201db99b90b418aa344ca6d4f8522f73e487
+size 13095882
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_3B9S_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..80113978702e3224bb46bdb2dc50f92a6dc5aa5d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_3B9S_seed_42/model.pth b/NeuralMD_SDE/MISATO_3B9S_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..7aefdc7376735113fdf146b15b56dfa98467c663
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3B9S_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:006162a4e8cbc5ed486377ba6318b890b3cb1d546283fc978c826719dcf4ebe4
+size 13095882
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_3EOV_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..1877a2ad3302d9ee56c0d342b72595f89d7a5beb
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_22/model.pth b/NeuralMD_SDE/MISATO_3EOV_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..2bf9e7ce078636814d57824086eb96356c457a97
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9210f5a0cc69f9c9a5809f325be6aa72d3fce79e1881ac2707bc43f48f3c98c7
+size 13096714
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_3EOV_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..4d91ea344bed26bf0f7a9ecfec34483cb5ca7215
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_32/model.pth b/NeuralMD_SDE/MISATO_3EOV_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..45459ca078f4094e13040106874575522e702c84
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:ea30a0fd6b77e825ddae3c49e4138111d40c57a86b999bac2bb8d71c723793d9
+size 13096714
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_3EOV_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..5957f611ec315f0f4d7dcd55f387f8cb9a8537eb
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_3EOV_seed_42/model.pth b/NeuralMD_SDE/MISATO_3EOV_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..a054fae3e7e606bd9b49345a651ed8750e6c9682
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_3EOV_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9b20e9c93cb21d22651d68619c4c0a5b0320678f5d6bdc8e0298961770098e95
+size 13096714
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_4G3E_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..af0465cb486821df4025da27f842c2a3f755a012
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_22/model.pth b/NeuralMD_SDE/MISATO_4G3E_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..2813787eb5c517cca3425ae5d32e26028aa4e433
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:ae5a88029a496199772bb7204a0c5cd1a21e3c184ae8a077b56698d1d4eb7aec
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_4G3E_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..615c763aafa952bd9fa30ca8fb4f5a41b8c8911f
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_32/model.pth b/NeuralMD_SDE/MISATO_4G3E_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..4f72ee0d7cf37ca4d70e14b35893b672a4d04931
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:fe67e267fce9fceabf4afdaaebb2167f53bb4fa668d6d82dd53f9c45d14a4cd0
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_4G3E_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..551ce39a28103912e82192fcd6fca1ff605c52b3
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_4G3E_seed_42/model.pth b/NeuralMD_SDE/MISATO_4G3E_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..5f99f7dd338ebd1346a65e8a5c06a5cc7bd2cfb0
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4G3E_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:697c0404261be87197b5a08f9ca7764b92e19305297ff0a0f8a55f49ca92eb07
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_4K6W_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..c2c62178e2391382f8ec997b698ac4b35e766c41
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_22/model.pth b/NeuralMD_SDE/MISATO_4K6W_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..d455d7511ed0b82c6c15874c1653a2dccffff899
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e857ce722b49946afe849b824a8ee170d7e1ef2f3cd474d5b119c0b7db41b089
+size 13096842
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_4K6W_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..0fab567e5d94fcc9c3b0cd211a9a1887cbbd6c49
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_32/model.pth b/NeuralMD_SDE/MISATO_4K6W_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..cfbbdca03bfb4798896ca709a29ce0c76fd0131d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:3b878ad8e1d5a301ac57daef690ff3d70f22ee2c5354c27c654c2de686fd67ca
+size 13096842
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_4K6W_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..ce5483da359ffdb70205b240a301457420b76698
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_4K6W_seed_42/model.pth b/NeuralMD_SDE/MISATO_4K6W_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..6f9c8120014702b7baa55513ca783283658a9180
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4K6W_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:140bf115ad0e9d755ddce30c43e080ba4c9eeb075bad4038cb9e2f49c3a0e1f0
+size 13096842
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_4YUR_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..f51b0b6b470fb629731a8f6f126f003a0cc91529
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4YUR/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_22/model.pth b/NeuralMD_SDE/MISATO_4YUR_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..7fcdfd259cb209ee3401b68f0dfcb9bfaa68f040
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:92838ae92f548d36ff823664620d6271ddd92122dfefc9bbffe47447d914a1e9
+size 13096266
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_4YUR_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..697f410361879dd9b4d134d129def185c4009dc8
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4YUR/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_32/model.pth b/NeuralMD_SDE/MISATO_4YUR_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..9fa4e9fa5319aeec4836a564818e8afafecfcc5c
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:733b272e02adad4570fa073c9ba23f1de531962df359fe0723aca6ca0dd467d4
+size 13096266
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_4YUR_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..5627edbf496bd79ea90f53cdee1078f6161afa56
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --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 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4YUR/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_4YUR_seed_42/model.pth b/NeuralMD_SDE/MISATO_4YUR_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..3285ca368b87b47baa432c95ffc87ac36efd3dc9
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4YUR_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:26528a08b14bdabdb8a7f292ab14149797473281da00affdf59e8d3918274feb
+size 13096266
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_4ZX0_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..25fea08bedf731ea2d8899df3444df4e2c9dfdb2
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4ZX0 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4ZX0/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_22/model.pth b/NeuralMD_SDE/MISATO_4ZX0_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..73ee5ee05381a1f8c52d04eed4bd313d31541b1d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:c76d82094fa2733fedcca9baf3e888884265c5bd3de8869cb468ee642a2fc739
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_4ZX0_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..cb8e4d2e4aba29436c3f3339377176288732e39a
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4ZX0 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4ZX0/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_32/model.pth b/NeuralMD_SDE/MISATO_4ZX0_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..39a5a7214ff6424bb75b04d4a1fcc638ffa819cb
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:ef298aa2fb130330e1f302fba2f49f0ccaf25875c78269b4e8921a4a1c739718
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_4ZX0_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..881fff4e8bee01d7d43fe3c2d8c817028959bfd9
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4ZX0 --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4ZX0/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_4ZX0_seed_42/model.pth b/NeuralMD_SDE/MISATO_4ZX0_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..ebe4a67731ab7ccde20bb79046e57ce8d09ee50b
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_4ZX0_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:a112128ed7a5325ca1658c866a0dbef8e5497d5548dc419e26c391a0c0d53857
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_5WIJ_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..979c473e8414b779fee400f88a30815336b28a9c
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=5WIJ --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_5WIJ/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_22/model.pth b/NeuralMD_SDE/MISATO_5WIJ_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..4954205e25caa1e82d3fe0a33c771d335230cb7d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b3e225993c13f95b6b9edb3efc08fc402885a347c9bd2664709a82a8a1297030
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_5WIJ_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..5bde400fd5300d19ee3cdc59da1ab602b344e0d4
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=5WIJ --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_5WIJ/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_32/model.pth b/NeuralMD_SDE/MISATO_5WIJ_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..fc0bf38d1a554141de41a36e90dc87c9d58f8d39
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:b69a7eb5000e5edab1815fa98a9a59dbcde65fb76b7aad306241a8041a32108f
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_5WIJ_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..6f8ae80779628f584f86a0587c6ce18fae5babcc
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=5WIJ --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_5WIJ/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_5WIJ_seed_42/model.pth b/NeuralMD_SDE/MISATO_5WIJ_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..9751e9aebf778c75b8d030a92f5116bd06a4bde5
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_5WIJ_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:4318e129fe990032b62bc49c6b1bae441d0168df8a37ee84b8c0f91b66a1e0be
+size 13096074
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_6B7F_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..c49b67ef2a2e0726e54e9e4d061f3f3c5e6a4b2a
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=6B7F --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_6B7F/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_22
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_22/model.pth b/NeuralMD_SDE/MISATO_6B7F_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..56854c74573f042bc10ade952f9399288689d1e6
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9dc79d8431d013d4698d0d82e1822dba760480e8e935e1231e485c3e43af4ccd
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_6B7F_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..2c1c973341392ec76efaa8276b4ed9c4117047f3
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=6B7F --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_6B7F/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_32
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_32/model.pth b/NeuralMD_SDE/MISATO_6B7F_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..06d5eba491bf29c2adc1767fcdc410f2c7a0b35d
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:332fd1a3480dbf78319ef00e2500c07615ba7c2209aa21f06bfb02ffdf17476f
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_6B7F_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..8cb2057c6f57ea021fa1a37b1498db5ae729192a
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=6B7F --NeuralMD_step_size=0.5 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_window_size=1 --NeuralMD_binding_model=NeuralMD_Binding04 --use_MLP_velocity --FrameNet_num_radial=100 --output_model_dir=output/MISATO_6B7F/NeuralMD_Binding04_AR/0.5_100_0_euler_1_100_use_MLP_velocity/1e-3_Adam_None_500_42
diff --git a/NeuralMD_SDE/MISATO_6B7F_seed_42/model.pth b/NeuralMD_SDE/MISATO_6B7F_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..5b1e532e1ceeb7b5864ce62d44583c276d69b8cd
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_6B7F_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9aceb59dad402d9110e734a36cec1699bec286130e779973c7b4b639c3a5ee6d
+size 13095946
diff --git a/NeuralMD_SDE/MISATO_seed_22/hyperparameter.txt b/NeuralMD_SDE/MISATO_seed_22/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e37b5925d8de6a1008b7ce80e9187a9dbb4346a3
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_22/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=22 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=32 --batch_size=4 --dataset=MISATO --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_50_22
diff --git a/NeuralMD_SDE/MISATO_seed_22/model.pth b/NeuralMD_SDE/MISATO_seed_22/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..93e6736a33fd50966ca25cf2d28e570cc9f8b588
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_22/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:8dfd814ffad3ac1e2eb6615861d555ad23ce37d4003b4aba0d1239ba8ecf5ff0
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_seed_32/hyperparameter.txt b/NeuralMD_SDE/MISATO_seed_32/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..1e3798c13824d186347f545a6a22a7feab40e5ed
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_32/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=32 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=32 --batch_size=4 --dataset=MISATO --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_50_32
diff --git a/NeuralMD_SDE/MISATO_seed_32/model.pth b/NeuralMD_SDE/MISATO_seed_32/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..fdc6d495f39424eacb5a80714bd0595930d3b6d1
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_32/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6119d6d10383466a5f724ccf8d1528fafb60725df268e5e81addc27b5101a5b3
+size 8954730
diff --git a/NeuralMD_SDE/MISATO_seed_42/hyperparameter.txt b/NeuralMD_SDE/MISATO_seed_42/hyperparameter.txt
new file mode 100644
index 0000000000000000000000000000000000000000..61b74c584a12e29f356ef6782079b8af80d49b30
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_42/hyperparameter.txt
@@ -0,0 +1 @@
+--seed=42 --lr=1e-3 --optimizer=Adam --lr_scheduler=None --FrameNet_num_radial=100 --num_workers=0 --epochs=32 --batch_size=4 --dataset=MISATO --NeuralMD_step_size=10 --NeuralMD_scaling=100 --NeuralMD_velocity_refined_value_coefficient=0 --ODE_method=euler --NeuralMD_binding_model=NeuralMD_Binding02 --no_MLP_velocity --no_NeuralMD_Binding_start_with_first_frame --NeuralMD_Binding_frame_num=10 --output_model_dir=output/MISATO/NeuralMD_Binding02/10_100_0_euler_no_NeuralMD_Binding_start_with_first_frame_10_no_MLP_velocity/1e-3_Adam_None_100_4_50_42
diff --git a/NeuralMD_SDE/MISATO_seed_42/model.pth b/NeuralMD_SDE/MISATO_seed_42/model.pth
new file mode 100644
index 0000000000000000000000000000000000000000..60d1a2cb6a3f05c27fd0c854a59ac9d5a36d5cc8
--- /dev/null
+++ b/NeuralMD_SDE/MISATO_seed_42/model.pth
@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:6182351904468d9a0123b429161b99a011e9cb3d536f1632ba9ab5ce5e1a55fa
+size 8954730