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Description
so I have a smiles that has backlash to capture the stereochemistry (E/Z} but when i run sampling it says the prior model doesn't read backlash so I wonder if there is any alternative token to retain stereochemistry. here is the code Traceback (most recent call last): File "/opt/homebrew/Caskroom/miniconda/base/envs/reinvent4/bin/reinvent", line 7, in sys.exit(main_script()) File "/Users/khanhmainguyen/Desktop/Desktop - Khanh’s MacBook Pro/research/reinvent4/reinvent/Reinvent.py", line 194, in main_script main(args) File "/Users/khanhmainguyen/Desktop/Desktop - Khanh’s MacBook Pro/research/reinvent4/reinvent/Reinvent.py", line 163, in main runner( File "/Users/khanhmainguyen/Desktop/Desktop - Khanh’s MacBook Pro/research/reinvent4/reinvent/runmodes/samplers/run_sampling.py", line 84, in run_sampling input_smilies = read_smiles_csv_file(smiles_input_filename, 0, allowed_tokens) File "/Users/khanhmainguyen/Desktop/Desktop - Khanh’s MacBook Pro/research/reinvent4/reinvent/utils/config_parse.py", line 147, in read_smiles_csv_file validate_tokens(smiles, allowed_tokens) File "/Users/khanhmainguyen/Desktop/Desktop - Khanh’s MacBook Pro/research/reinvent4/reinvent/utils/config_parse.py", line 204, in validate_tokens f"Tokens {invalid_tokens} in {smiles} are not supported by the model\n" UnboundLocalError: local variable 'invalid_tokens' referenced before assignment