feature/SOF-2046 added bandgap_prediction_workflow json #26
Conversation
| } | ||
| } | ||
| }, | ||
| "_project": { |
There was a problem hiding this comment.
from here to end of the file using the same elements from vasp workflow example
| "preProcessors": [ | ||
| { | ||
| "type": "function", | ||
| "name": "prepare_training_prediction_data", |
There was a problem hiding this comment.
Let's make the name shorter pls
| } | ||
| ], | ||
| "targetProperties":[ | ||
| "band_gaps" |
There was a problem hiding this comment.
We need to make sure we deliver both direct and indirect or adjust the target properties to return only one
| -1.005e-02 | ||
| ], | ||
| "intercept": 0.45, | ||
| "modelData": "include(../../../theory/ml/linear/input_data)" |
There was a problem hiding this comment.
We should add .json extension to input_data
| ] | ||
| }, | ||
| "results": [ | ||
| { |
There was a problem hiding this comment.
This section should not contain the model itself
| } | ||
| ], | ||
| "input": [ | ||
| { |
There was a problem hiding this comment.
model parameters should not be there
| ], | ||
| "intercept": 0.45, | ||
| "modelData": "include(../../../theory/ml/linear/input_data)" | ||
| } |
There was a problem hiding this comment.
Before we run rupy this information is not present yet
| @@ -0,0 +1,186 @@ | |||
| { | |||
There was a problem hiding this comment.
the path should be example/job/software/ml/linear/workflow/fit_predict_band_gaps.json
2 participants
No description provided.