(target-pred-py) [root@master]# python /home/software/target-pred-py/src/models/predict_structuretomoa.py --smiles "CC(=O)OC1=CC=CC=C1C(=O)O" --rf
Could not find model to load
[00:03:26] DEPRECATION WARNING: please use MorganGenerator
Traceback (most recent call last):
File "/home/software/target-pred-py/src/models/predict_structuretomoa.py", line 28, in
top_output = model.predict_top_pretty(model_input)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/target-pred-py/src/models/models.py", line 75, in predict_top_pretty
top, probabilities = self.predict_top(data, n_outputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/target-pred-py/src/models/models.py", line 131, in predict_top
model_output = self.model.predict_proba(data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/anaconda3/envs/target-pred-py/lib/python3.12/site-packages/sklearn/ensemble/_forest.py", line 944, in predict_proba
check_is_fitted(self)
File "/home/software/anaconda3/envs/target-pred-py/lib/python3.12/site-packages/sklearn/utils/validation.py", line 1661, in check_is_fitted
raise NotFittedError(msg % {"name": type(estimator).name})
sklearn.exceptions.NotFittedError: This RandomForestClassifier instance is not fitted yet. Call 'fit' with appropriate arguments before using this estimator.
(target-pred-py) [root@master]# python /home/software/target-pred-py/src/models/predict_structuretomoa.py --smiles "CC(=O)OC1=CC=CC=C1C(=O)O" --rf Could not find model to load [00:03:26] DEPRECATION WARNING: please use MorganGenerator Traceback (most recent call last): File "/home/software/target-pred-py/src/models/predict_structuretomoa.py", line 28, in
top_output = model.predict_top_pretty(model_input)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/target-pred-py/src/models/models.py", line 75, in predict_top_pretty
top, probabilities = self.predict_top(data, n_outputs)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/target-pred-py/src/models/models.py", line 131, in predict_top
model_output = self.model.predict_proba(data)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "/home/software/anaconda3/envs/target-pred-py/lib/python3.12/site-packages/sklearn/ensemble/_forest.py", line 944, in predict_proba
check_is_fitted(self)
File "/home/software/anaconda3/envs/target-pred-py/lib/python3.12/site-packages/sklearn/utils/validation.py", line 1661, in check_is_fitted
raise NotFittedError(msg % {"name": type(estimator).name})
sklearn.exceptions.NotFittedError: This RandomForestClassifier instance is not fitted yet. Call 'fit' with appropriate arguments before using this estimator.