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basf / MolPipeline

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Add kwargs to ChempropNeuralFP.__init__ #31

Closed c-w-feldmann closed 2 months ago

c-w-feldmann commented 2 months ago

Currently cloning the ChempropNeuralFP raises this error:

TypeError: ChempropNeuralFP.__init__() got an unexpected keyword argument 'lightning_trainer__accelerator'

I suspect that this comes from a missing a missing kwargs which forwards lightning_trainer params to ABCChemprop which handles them.