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- VerletMD/MISATO_1000_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_1000_seed_22/model.pth +3 -0
- VerletMD/MISATO_1000_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_1000_seed_32/model.pth +3 -0
- VerletMD/MISATO_1000_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_1000_seed_42/model.pth +3 -0
- VerletMD/MISATO_100_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_100_seed_22/model.pth +3 -0
- VerletMD/MISATO_100_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_100_seed_32/model.pth +3 -0
- VerletMD/MISATO_100_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_100_seed_42/model.pth +3 -0
- VerletMD/MISATO_1KTI_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_1KTI_seed_22/model.pth +3 -0
- VerletMD/MISATO_1KTI_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_1KTI_seed_32/model.pth +3 -0
- VerletMD/MISATO_1KTI_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_1KTI_seed_42/model.pth +3 -0
- VerletMD/MISATO_1XP6_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_1XP6_seed_22/model.pth +3 -0
- VerletMD/MISATO_1XP6_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_1XP6_seed_32/model.pth +3 -0
- VerletMD/MISATO_1XP6_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_1XP6_seed_42/model.pth +3 -0
- VerletMD/MISATO_3B9S_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_3B9S_seed_22/model.pth +3 -0
- VerletMD/MISATO_3B9S_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_3B9S_seed_32/model.pth +3 -0
- VerletMD/MISATO_3B9S_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_3B9S_seed_42/model.pth +3 -0
- VerletMD/MISATO_3EOV_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_3EOV_seed_22/model.pth +3 -0
- VerletMD/MISATO_3EOV_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_3EOV_seed_32/model.pth +3 -0
- VerletMD/MISATO_3EOV_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_3EOV_seed_42/model.pth +3 -0
- VerletMD/MISATO_4G3E_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_4G3E_seed_22/model.pth +3 -0
- VerletMD/MISATO_4G3E_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_4G3E_seed_32/model.pth +3 -0
- VerletMD/MISATO_4G3E_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_4G3E_seed_42/model.pth +3 -0
- VerletMD/MISATO_4K6W_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_4K6W_seed_22/model.pth +3 -0
- VerletMD/MISATO_4K6W_seed_32/hyperparameter.txt +1 -0
- VerletMD/MISATO_4K6W_seed_32/model.pth +3 -0
- VerletMD/MISATO_4K6W_seed_42/hyperparameter.txt +1 -0
- VerletMD/MISATO_4K6W_seed_42/model.pth +3 -0
- VerletMD/MISATO_4YUR_seed_22/hyperparameter.txt +1 -0
- VerletMD/MISATO_4YUR_seed_22/model.pth +3 -0
VerletMD/MISATO_1000_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1000/VerletMD/1e-4_SGD_None_100_100_22
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VerletMD/MISATO_1000_seed_22/model.pth
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VerletMD/MISATO_1000_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1000/VerletMD/1e-4_SGD_None_100_100_32
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VerletMD/MISATO_1000_seed_32/model.pth
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VerletMD/MISATO_1000_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=4 --dataset=MISATO_1000 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1000/VerletMD/1e-4_SGD_None_100_100_42
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VerletMD/MISATO_1000_seed_42/model.pth
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VerletMD/MISATO_100_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=1 --dataset=MISATO_100 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_100/VerletMD/1e-4_SGD_None_100_100_22
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VerletMD/MISATO_100_seed_22/model.pth
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VerletMD/MISATO_100_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=1 --dataset=MISATO_100 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_100/VerletMD/1e-4_SGD_None_100_100_32
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VerletMD/MISATO_100_seed_32/model.pth
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VerletMD/MISATO_100_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=100 --batch_size=1 --dataset=MISATO_100 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_100/VerletMD/1e-4_SGD_None_100_100_42
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VerletMD/MISATO_100_seed_42/model.pth
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VerletMD/MISATO_1KTI_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/VerletMD/1e-4_SGD_None_100_500_22
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VerletMD/MISATO_1KTI_seed_22/model.pth
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VerletMD/MISATO_1KTI_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/VerletMD/1e-4_SGD_None_100_500_32
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VerletMD/MISATO_1KTI_seed_32/model.pth
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VerletMD/MISATO_1KTI_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1KTI --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1KTI/VerletMD/1e-4_SGD_None_100_500_42
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VerletMD/MISATO_1KTI_seed_42/model.pth
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VerletMD/MISATO_1XP6_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/VerletMD/1e-4_SGD_None_100_500_22
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VerletMD/MISATO_1XP6_seed_22/model.pth
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VerletMD/MISATO_1XP6_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/VerletMD/1e-4_SGD_None_100_500_32
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VerletMD/MISATO_1XP6_seed_32/model.pth
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VerletMD/MISATO_1XP6_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=1XP6 --FrameNet_num_radial=100 --output_model_dir=output/MISATO_1XP6/VerletMD/1e-4_SGD_None_100_500_42
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VerletMD/MISATO_1XP6_seed_42/model.pth
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VerletMD/MISATO_3B9S_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/VerletMD/1e-4_SGD_None_100_500_22
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VerletMD/MISATO_3B9S_seed_22/model.pth
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VerletMD/MISATO_3B9S_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/VerletMD/1e-4_SGD_None_100_500_32
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VerletMD/MISATO_3B9S_seed_32/model.pth
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VerletMD/MISATO_3B9S_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3B9S --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3B9S/VerletMD/1e-4_SGD_None_100_500_42
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VerletMD/MISATO_3B9S_seed_42/model.pth
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VerletMD/MISATO_3EOV_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/VerletMD/1e-4_SGD_None_100_500_22
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VerletMD/MISATO_3EOV_seed_22/model.pth
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VerletMD/MISATO_3EOV_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/VerletMD/1e-4_SGD_None_100_500_32
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VerletMD/MISATO_3EOV_seed_32/model.pth
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VerletMD/MISATO_3EOV_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=3EOV --FrameNet_num_radial=100 --output_model_dir=output/MISATO_3EOV/VerletMD/1e-4_SGD_None_100_500_42
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VerletMD/MISATO_3EOV_seed_42/model.pth
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VerletMD/MISATO_4G3E_seed_22/hyperparameter.txt
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--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/VerletMD/1e-4_SGD_None_100_500_22
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VerletMD/MISATO_4G3E_seed_22/model.pth
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VerletMD/MISATO_4G3E_seed_32/hyperparameter.txt
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--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/VerletMD/1e-4_SGD_None_100_500_32
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VerletMD/MISATO_4G3E_seed_32/model.pth
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VerletMD/MISATO_4G3E_seed_42/hyperparameter.txt
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--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4G3E --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4G3E/VerletMD/1e-4_SGD_None_100_500_42
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VerletMD/MISATO_4G3E_seed_42/model.pth
ADDED
@@ -0,0 +1,3 @@
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|
1 |
+
version https://git-lfs.github.com/spec/v1
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oid sha256:cad204d4ca607f293e43074ccc4338985bf48eb97968892dbae751535bba0096
|
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size 4812314
|
VerletMD/MISATO_4K6W_seed_22/hyperparameter.txt
ADDED
@@ -0,0 +1 @@
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|
|
|
|
1 |
+
--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4K6W --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/VerletMD/1e-4_SGD_None_100_500_22
|
VerletMD/MISATO_4K6W_seed_22/model.pth
ADDED
@@ -0,0 +1,3 @@
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|
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|
1 |
+
version https://git-lfs.github.com/spec/v1
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oid sha256:6b025588e30546a110afb68e20cd080a780f7ed8db413487f78b531f722e83d5
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size 4812314
|
VerletMD/MISATO_4K6W_seed_32/hyperparameter.txt
ADDED
@@ -0,0 +1 @@
|
|
|
|
|
1 |
+
--seed=32 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4K6W --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/VerletMD/1e-4_SGD_None_100_500_32
|
VerletMD/MISATO_4K6W_seed_32/model.pth
ADDED
@@ -0,0 +1,3 @@
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|
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|
|
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|
1 |
+
version https://git-lfs.github.com/spec/v1
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oid sha256:69600c743c2f61f50b79e6a09201d75dee2898adf50ffda55d929749f7dda77a
|
3 |
+
size 4812314
|
VerletMD/MISATO_4K6W_seed_42/hyperparameter.txt
ADDED
@@ -0,0 +1 @@
|
|
|
|
|
1 |
+
--seed=42 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4K6W --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4K6W/VerletMD/1e-4_SGD_None_100_500_42
|
VerletMD/MISATO_4K6W_seed_42/model.pth
ADDED
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
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oid sha256:5f0dd0b1ff9164f1bc93feba2e0e34c05a084e6c619be82dc674f51e2c0899dc
|
3 |
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size 4812314
|
VerletMD/MISATO_4YUR_seed_22/hyperparameter.txt
ADDED
@@ -0,0 +1 @@
|
|
|
|
|
1 |
+
--seed=22 --lr=1e-4 --optimizer=SGD --lr_scheduler=None --num_workers=0 --epochs=500 --batch_size=1 --dataset=MISATO --PDB_ID=4YUR --FrameNet_num_radial=100 --output_model_dir=output/MISATO_4YUR/VerletMD/1e-4_SGD_None_100_500_22
|
VerletMD/MISATO_4YUR_seed_22/model.pth
ADDED
@@ -0,0 +1,3 @@
|
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|
|
|
|
|
|
|
1 |
+
version https://git-lfs.github.com/spec/v1
|
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oid sha256:94c7cc9f17e824b108902caa1003f78b86096990b5e870912b362b4443a9d07d
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size 4812314
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