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A problem in conducting RL section with REINVENT 4.7.15 #347
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yuanyuantang58-lang
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Hi, many thanks for reporting this. The error messages tells you that your TOML file is malformed. Without seeing the file, I cannot tell what the issue is. Many thanks, |
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Hi, everyone, I am new to reinvent and got a problem in conducting RL section, there always reports this error
13:17:17 randomize_smiles was set to True but the model was not trained with randomized SMILES. Setting randomize_smiles to False.
13:17:17 Using reward strategy dap
13:17:17 Using diversity filter IdenticalMurckoScaffold
13:17:17 Diversity filter memories are retained between stages
Traceback (most recent call last):
File "D:\software\Anaconda3\envs\reinvent_clean\lib\runpy.py", line 196, in _run_module_as_main
return _run_code(code, main_globals, None,
File "D:\software\Anaconda3\envs\reinvent_clean\lib\runpy.py", line 86, in run_code
exec(code, run_globals)
File "D:\software\Anaconda3\envs\reinvent_clean\Scripts\reinvent.exe_main.py", line 5, in
File "E:\HKU\REINVENT4\reinvent\Reinvent.py", line 196, in main_script
main(args)
File "E:\HKU\REINVENT4\reinvent\Reinvent.py", line 165, in main
runner(
File "E:\HKU\REINVENT4\reinvent\runmodes\RL\run_staged_learning.py", line 134, in run_staged_learning
packages = create_packages(reward_strategy, stages, rdkit_smiles_flags2)
File "E:\HKU\REINVENT4\reinvent\runmodes\RL\setup\create_packages.py", line 36, in create_packages
scoring_function = Scorer(stage.scoring)
File "E:\HKU\REINVENT4\reinvent\scoring\scorer.py", line 101, in init
config = ScorerConfig(**cfg)
File "D:\software\Anaconda3\envs\reinvent_clean\lib\site-packages\pydantic\main.py", line 263, in init
validated_self = self.pydantic_validator.validate_python(data, self_instance=self)
pydantic_core._pydantic_core.ValidationError: 3 validation errors for ScorerConfig
component.0.name
Input should be a valid dictionary [type=dict_type, input_value='TestModel', input_type=str]
For further information visit https://errors.pydantic.dev/2.13/v/dict_type
component.0.weight
Input should be a valid dictionary [type=dict_type, input_value=1.0, input_type=float]
For further information visit https://errors.pydantic.dev/2.13/v/dict_type
component.0.component_type
Input should be a valid dictionary [type=dict_type, input_value='predictive_property', input_type=str]
For further information visit https://errors.pydantic.dev/2.13/v/dict_type
I install it and also used the template TOML according the official installation steps. I would appreciate it a lot if anyone can help.
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