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update test to work with graphconv nn
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paulsonak committed Jan 21, 2025
1 parent edb9a74 commit 3d81833
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion atomsci/ddm/test/integrative/ad_index/test_ad_index.py
Original file line number Diff line number Diff line change
Expand Up @@ -35,7 +35,10 @@ def test():
hp_params["python_path"] = python_path

for feat in ['ecfp','mordred_filtered','rdkit_raw','graphconv']:
if feat in ['ecfp','graphconv']:
if feat == 'ecfp':
hp_params['featurizer']=feat
elif feat =='graphconv':
hp_params['model_type']='NN'
hp_params['featurizer']=feat
else:
hp_params['featurizer']='computed_descriptors'
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