A issue about running the expander.

[yyh030806]

Hello!
I run the the code:

from aizynthfinder.aizynthfinder import AiZynthExpander
expander = AiZynthExpander(configfile='/data/yuhangyang/retro_agent/retro_agent/single_step_model/config.yml')
expander.expansion_policy.select()
test_smiles = ["O=C(O)COCCOCCOCCOCCOCCOCCOCC(F)(F)F", "COc1cc(N)c(Cl)cc1C(=O)NCCCC1CN(Cc2ccccc2)CCO1"]
for smi in test_smiles:
    predictions = expander.do_expansion(smi)
    print(predictions[0][0].reaction_smiles())

with config:

expansion:
  full:
    - /data/yuhangyang/retro_agent/retro_agent/single_step_model/uspto_rxn_n1_keras_model.hdf5
    - /data/yuhangyang/retro_agent/retro_agent/single_step_model/uspto_rxn_n1_unique_templates.hdf5

and get error:

Traceback (most recent call last):
  File "/data/yuhangyang/retro_agent/retro_agent/call_single_step_model.py", line 2, in <module>
    expander = AiZynthExpander(configfile='/data/yuhangyang/retro_agent/retro_agent/single_step_model/config.yml')
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/aizynthfinder.py", line 362, in __init__
    self.config = Configuration.from_file(configfile)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/context/config.py", line 141, in from_file
    return Configuration.from_dict(_config)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/context/config.py", line 110, in from_dict
    config_obj.expansion_policy.load_from_config(**expansion_config)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/context/policy/policies.py", line 132, in load_from_config
    obj = cls(key, self._config, **kwargs)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/context/policy/expansion_strategies.py", line 293, in __init__
    self.model = load_model(source, self.key, self.use_remote_models)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/utils/models.py", line 82, in load_model
    return LocalKerasModel(source)
  File "/data/yuhangyang/retro_agent/retro_agent/aizynthfinder/utils/models.py", line 114, in __init__
    self.model = load_keras_model(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/saving/saving_api.py", line 196, in load_model
    return legacy_h5_format.load_model_from_hdf5(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/legacy_h5_format.py", line 155, in load_model_from_hdf5
    **saving_utils.compile_args_from_training_config(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 151, in compile_args_from_training_config
    metrics = _deserialize_nested_config(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 209, in _deserialize_nested_config
    return [
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 210, in <listcomp>
    _deserialize_nested_config(deserialize_fn, obj) for obj in config
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 209, in _deserialize_nested_config
    return [
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 210, in <listcomp>
    _deserialize_nested_config(deserialize_fn, obj) for obj in config
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 202, in _deserialize_nested_config
    return deserialize_fn(config)
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/legacy/saving/saving_utils.py", line 226, in _deserialize_metric
    return metrics_module.deserialize(metric_config)
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/metrics/__init__.py", line 160, in deserialize
    return serialization_lib.deserialize_keras_object(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/saving/serialization_lib.py", line 581, in deserialize_keras_object
    return deserialize_keras_object(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/saving/serialization_lib.py", line 718, in deserialize_keras_object
    instance = cls.from_config(inner_config)
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/metrics/reduction_metrics.py", line 220, in from_config
    return cls(**config)
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/metrics/reduction_metrics.py", line 188, in __init__
    super().__init__(name=name, dtype=dtype)
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/metrics/reduction_metrics.py", line 125, in __init__
    self.total = self.add_variable(
  File "/data/yuhangyang/miniconda3/envs/retro_agent/lib/python3.9/site-packages/keras/src/metrics/metric.py", line 196, in add_variable
    with backend.name_scope(self.name.replace("/", ">"), caller=self):
AttributeError: 'functools.partial' object has no attribute 'replace'

Could you give me some advice about the error?
Thanks !

[SGenheden]

This looks an issue with keras and/or tensorflow. Which version of these packages do you have in your environment?