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Porting DTNNModel Class #3514
Porting DTNNModel Class #3514
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This LGTM with a rebase
@@ -47,3 +49,33 @@ def test_dtnn(): | |||
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# Check number of parameters | |||
assert len(list(model.parameters())) == 17 | |||
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@pytest.mark.torch |
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We need save/reload/overfit tests. See https://deepchem.readthedocs.io/en/latest/development_guide/coding.html#testing-machine-learning-models
def test_dtnn_multitask_regression_overfit(): | ||
current_dir = os.path.dirname(os.path.abspath(__file__)) | ||
dataset_file = os.path.join(current_dir, "assets/qm9_mini.sdf") | ||
TASKS = ["alpha"] |
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You may need to add to another task here
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Done, Sorry about that.
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Couple of minor issues (test fixes, more docs)
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LGTM
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 deepchem
and check no errorsflake8 <modified file> --count
and check no errorspython -m doctest <modified file>
and check no errors