I found the following errors while loading the perovskite dataset.
job exception: local variable 'X_shape' referenced before assignment
0%| | 0/16 [01:14<?, ?trial/s, best loss=?]
Traceback (most recent call last):
File "fingerprint.py", line 204, in
val_metrics, test_metrics = bayesian_optimization(args)
File "fingerprint.py", line 137, in bayesian_optimization
max_evals=args['num_trials'])
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 553, in fmin
rval.exhaust()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 356, in exhaust
self.run(self.max_evals - n_done, block_until_done=self.asynchronous)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 292, in run
self.serial_evaluate()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 170, in serial_evaluate
result = self.domain.evaluate(spec, ctrl)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/base.py", line 907, in evaluate
rval = self.fn(pyll_rval)
File "fingerprint.py", line 120, in objective
val_metrics, test_metrics = main(save_path, configure, hyperparams)
File "fingerprint.py", line 49, in main
args, tasks, all_dataset, transformers = load_dataset(args)
File "/home/v-yuanqidu/moleculenet/examples/utils.py", line 105, in load_dataset
featurizer=featurizer, splitter=splitter, reload=False)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/molnet/load_function/material_datasets/load_perovskite.py", line 107, in load_perovskite
return loader.load_dataset('perovskite', reload)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/molnet/load_function/molnet_loader.py", line 201, in loaddataset
train = transformer.transform(train)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/trans/transformers.py", line 197, in transform
, y_shape, wshape, = dataset.get_shape()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/data/datasets.py", line 2557, in get_shape
return tuple(X_shape), tuple(y_shape), tuple(w_shape), tuple(ids_shape)
UnboundLocalError: local variable 'X_shape' referenced before assignment
I found the following errors while loading the perovskite dataset.
job exception: local variable 'X_shape' referenced before assignment
0%| | 0/16 [01:14<?, ?trial/s, best loss=?] Traceback (most recent call last): File "fingerprint.py", line 204, in
val_metrics, test_metrics = bayesian_optimization(args)
File "fingerprint.py", line 137, in bayesian_optimization
max_evals=args['num_trials'])
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 553, in fmin
rval.exhaust()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 356, in exhaust
self.run(self.max_evals - n_done, block_until_done=self.asynchronous)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 292, in run
self.serial_evaluate()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/fmin.py", line 170, in serial_evaluate
result = self.domain.evaluate(spec, ctrl)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/hyperopt/base.py", line 907, in evaluate
rval = self.fn(pyll_rval)
File "fingerprint.py", line 120, in objective
val_metrics, test_metrics = main(save_path, configure, hyperparams)
File "fingerprint.py", line 49, in main
args, tasks, all_dataset, transformers = load_dataset(args)
File "/home/v-yuanqidu/moleculenet/examples/utils.py", line 105, in load_dataset
featurizer=featurizer, splitter=splitter, reload=False)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/molnet/load_function/material_datasets/load_perovskite.py", line 107, in load_perovskite
return loader.load_dataset('perovskite', reload)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/molnet/load_function/molnet_loader.py", line 201, in loaddataset
train = transformer.transform(train)
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/trans/transformers.py", line 197, in transform
, y_shape, wshape, = dataset.get_shape()
File "/home/v-yuanqidu/.conda/envs/deepchem/lib/python3.7/site-packages/deepchem/data/datasets.py", line 2557, in get_shape
return tuple(X_shape), tuple(y_shape), tuple(w_shape), tuple(ids_shape)
UnboundLocalError: local variable 'X_shape' referenced before assignment