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Error "extra inputs are not permitted" #178

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ICW-Web opened this issue Dec 24, 2024 · 1 comment
Open

Error "extra inputs are not permitted" #178

ICW-Web opened this issue Dec 24, 2024 · 1 comment

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@ICW-Web
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ICW-Web commented Dec 24, 2024

I got an extra parameter error, what is the extra parameter here?
(reinvent4) C:\Users\aditi\Downloads\REINVENT4-main\REINVENT4-main>reinvent -f json -l sampling2.log config.json
Traceback (most recent call last):
File "c:\Users\aditi\miniconda3\envs\reinvent4\lib\runpy.py", line 196, in _run_module_as_main
return _run_code(code, main_globals, None,
File "c:\Users\aditi\miniconda3\envs\reinvent4\lib\runpy.py", line 86, in run_code
exec(code, run_globals)
File "c:\Users\aditi\miniconda3\envs\reinvent4\Scripts\reinvent.exe_main
.py", line 7, in
File "c:\Users\aditi\miniconda3\envs\reinvent4\lib\site-packages\reinvent\Reinvent.py", line 195, in main_script
main(args)
File "c:\Users\aditi\miniconda3\envs\reinvent4\lib\site-packages\reinvent\Reinvent.py", line 74, in main
val_config = ReinventConfig(**input_config)
File "c:\Users\aditi\miniconda3\envs\reinvent4\lib\site-packages\pydantic\main.py", line 214, in init
validated_self = self.pydantic_validator.validate_python(data, self_instance=self)
pydantic_core._pydantic_core.ValidationError: 1 validation error for ReinventConfig
logging
Extra inputs are not permitted [type=extra_forbidden, input_value={'logging_path': './logs'...'logging_frequency': 10}, input_type=dict]
For further information visit https://errors.pydantic.dev/2.10/v/extra_forbidden

(reinvent4) C:\Users\aditi\Downloads\REINVENT4-main\REINVENT4-main>notepad c:\Users\aditi\miniconda3\envs\reinvent4\lib
site-packages\pydantic\main.py
sampling2.log

This is the content of my config.json.

{
"run_type": "reinforcement_learning",
"logging": {
"logging_path": "./logs",
"result_folder": "./results",
"logging_frequency": 10
},
"parameters": {
"scoring_function": {
"name": "tanimoto_similarity",
"parameters": {
"smiles": "O=C(COc1ccc2cc(C(O)(C(F)(F)F)C(F)(F)F)c(O)cc2c1)NC1c2ccccc2-c2ccccc21",
"fp_type": "ECFP4"
}
},
"reinforcement_learning": {
"prior": "./data/prior.ckpt",
"agent": "./data/agent.ckpt",
"n_steps": 1000,
"learning_rate": 0.0001,
"batch_size": 128
}
}
}

@halx
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halx commented Dec 28, 2024

Hi,

many thanks for your interest in REINVENT and welcome to the community!

The invalid input is mentioned right before "Extra inputs are not permitted...". REINVENT4 has ino logging section and you need to removed that. All information is written to a CSV file and, optionally, TensorBoard output. The documentation in config/toml and the example configuration files therein will guide you.

Many thanks,
Hannes.

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