31 add kwargs to chempropneuralfp init - Githubissues

basf / MolPipeline

MIT License

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31 add kwargs to chempropneuralfp init #32

Closed c-w-feldmann closed 2 months ago

c-w-feldmann commented 2 months ago

Minor changes in neural_fingerprint.py
Created separate tests for ChempropNeuralFP
Reworked test_models.py to avoid duplicate code
Created chemprop_test_utils