Prevent this case is needed "not enough values to unpack" #13

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opened 2025-10-14 17:22:29 -06:00 by navan · 0 comments

navan commented

2025-10-14 17:22:29 -06:00

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Originally created by @agiani99 on 7/24/2020

Creating remdesivir analogues through the yaml attached I repeatedly got this error file which I suspect has to do with restrains from descriptors. Any thoughts for me?

Best

Andrea

Traceback (most recent call last):
File "illuminate.py", line 74, in
illumination(omegaconf.OmegaConf.load(configuration.configuration_file))(configuration.generations)
File "illuminate.py", line 29, in call
molecules = self.generate_molecules()
File "illuminate.py", line 52, in generate_molecules
molecules.extend(self.crossover(molecule_pair))
File "/home/zaliani/sw/argenomic/argenomic/operations.py", line 39, in call
molecule_cores, molecule_sidechains = self.fragmentate(molecule_pair)
File "/home/zaliani/sw/argenomic/argenomic/operations.py", line 56, in fragmentate
_, molecule_frags = map(list, zip(*molecule_frags))
ValueError: not enough values to unpack (expected 2, got 0)

This is the yaml file has been used
config_az.txt

*Originally created by @agiani99 on 7/24/2020* Creating remdesivir analogues through the yaml attached I repeatedly got this error file which I suspect has to do with restrains from descriptors. Any thoughts for me? Best Andrea Traceback (most recent call last): File "illuminate.py", line 74, in <module> illumination(omegaconf.OmegaConf.load(configuration.configuration_file))(configuration.generations) File "illuminate.py", line 29, in __call__ molecules = self.generate_molecules() File "illuminate.py", line 52, in generate_molecules molecules.extend(self.crossover(molecule_pair)) File "/home/zaliani/sw/argenomic/argenomic/operations.py", line 39, in __call__ molecule_cores, molecule_sidechains = self.fragmentate(molecule_pair) File "/home/zaliani/sw/argenomic/argenomic/operations.py", line 56, in fragmentate _, molecule_frags = map(list, zip(*molecule_frags)) ValueError: not enough values to unpack (expected 2, got 0) This is the yaml file has been used [config_az.txt](https://github.com/Jonas-Verhellen/Argenomic/files/4971665/config_az.txt)