melloddy / SparseChem

Fast and accurate machine learning models for biochemical applications.
MIT License
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retrain.py not compatible with current code / federated models? #9

Open NJSturm opened 1 year ago

NJSturm commented 1 year ago

Hi,

It seems like the current retrain.py code is not compatible with hyperparameters.json specifications we have from melloddy models (or is it not up to date with the current master branch sparsechem ?)

Is anybody else seeing this?

@molden: could you provide the needed specification for the hyperparameters file and/or verify that retrain.py does not need adjustments?

NJSturm commented 1 year ago

Hi @molden, did you get any chances to take a look on this?