Fix/visualize results #96
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There was some logic mismatch with the internal booleans and the strings passed to the function. Basically, all the full strings were evaluated to true, even if the string was "false"
TODO: Fix the font sizes so it looks good
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There is still the issue with nmr_only being set to False most of the time, which should not be the case. It seems that str2bool does not resolve this (it should work by passing it as a bool, str2bool should not be required, it is a code logic problem). Also, kindly asking to delete the old results.
metrics/old/results_baselines.csv
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Please delete this file (old metrics, not needed)
metrics/old/results_multi_target.csv
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Please delete this file (old metrics, not needed)
metrics/old/results_one_target.csv
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Please delete this file (old metrics, not needed)
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Here, it still only gives “nor_only” = False. It should be True as most of the time, we do NOT want models to be trained with the ligands.
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Same problem here — it should train and evaluate the models for “nmr_only” = True, there is still a bug
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Kindly delete these comments if the code is not needed anymore
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I still do not understand this function and why it should fix the bug
…r/NMRcraft into fix/visualize_results
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