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OneScience-Group
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MatPL

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Tags:
MatPL
NEP
machine learning potential
materials science
pwmat
pwmlff
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Files changed (5) hide show
  1. data/MatPL/Cu/pwdata/0_300_MOVEMENT +0 -0
  2. data/MatPL/Cu/pwdata/1_500_MOVEMENT +0 -0
  3. data/MatPL/Cu/pwdata/nn_test.json +3 -6
  4. data/MatPL/Cu/pwdata/nn_train.json +3 -7
  5. data/MatPL/Cu/pwdata/valid_movement +0 -0
data/MatPL/Cu/pwdata/0_300_MOVEMENT CHANGED
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data/MatPL/Cu/pwdata/1_500_MOVEMENT CHANGED
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data/MatPL/Cu/pwdata/nn_test.json CHANGED
@@ -1,6 +1,3 @@
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- {
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- "format":"pwmat/movement",
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- "test_data":["0_300_MOVEMENT", "1_500_MOVEMENT"],
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- "model_type": "NN",
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- "model_load_file":"./model_record/nn_model.ckpt"
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- }
 
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+ size 169
 
 
 
data/MatPL/Cu/pwdata/nn_train.json CHANGED
@@ -1,7 +1,3 @@
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- {
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- "format":"pwmat/movement",
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- "train_data":["0_300_MOVEMENT", "1_500_MOVEMENT"],
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- "valid_data":["valid_movement"],
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- "model_type": "NN",
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- "atom_type":[29]
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- }
 
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+ version https://git-lfs.github.com/spec/v1
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+ size 175
 
 
 
 
data/MatPL/Cu/pwdata/valid_movement CHANGED
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