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Mol opt #24
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return predicted_property_values | ||
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def optimize( |
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it is not clear where we call this optimize function and what the input model and config are. please push the code that runs this module.
chemlactica/mol_opt/tunning.py
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seems like this piece is redundant as we already have code for supervised fine tuning. Is there a way we can use the existing code base?
also it looks like this code is using the old config format, let's update this if possible as this won't match with our existing code base anymore.
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please push the code that runs optimize and update configs format.
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