Feature function - Batch Utils #3523
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rbharath
reviewed
Aug 11, 2023
deepchem/utils/batch_utils.py
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| distance_max: float = -1, | ||
| distance_min: float = 18, | ||
| n_distance: int = 100): | ||
| """Computes the values for different Feature Layers on given batch. |
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Can you expand this explanation? What does the batching do? What models is it needed for? What is the scientific justification and do we have references?
rbharath
reviewed
Aug 11, 2023
deepchem/utils/batch_utils.py
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| import numpy as np | ||
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| def coulomb_matrix_features(X_b: np.ndarray, |
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Let's rename this batch_coulomb_matrix_features
rbharath
reviewed
Aug 11, 2023
rbharath
reviewed
Aug 11, 2023
tonydavis629
approved these changes
Aug 14, 2023
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Description
Fix #(issue)
Type of change
Please check the option that is related to your PR.
Checklist
yapf -i <modified file>and check no errors (yapf version must be 0.32.0)mypy -p deepchemand check no errorsflake8 <modified file> --countand check no errorspython -m doctest <modified file>and check no errors