Open c-w-feldmann opened 2 months ago
mol_pipeline = MolPipeline( [ ("smi2mol", SmilesToMolPipelineElement()), ("mol2cleanmol", MelloddyPipelineElement()), ("mol2phys", MolToRDKitPhysChem(normalize=True)), ], n_jobs=n_jobs, memory=joblib.Memory(), none_handling = "fill_dummy", ) rf_pipeline = Pipeline( [ ("molpipline", mol_pipeline ), ("rf", RandomForestRegressor(n_estimators = 100, random_state = 42,oob_score=True)), ], n_jobs=n_jobs, memory=joblib.Memory(), )
instead of
mol_pipeline = MolPipeline( [ ("smi2mol", SmilesToMolPipelineElement()), ("mol2cleanmol", MelloddyPipelineElement()), ("mol2phys", MolToRDKitPhysChem(normalize=True)), ], n_jobs=n_jobs, memory=joblib.Memory(), none_handling = "fill_dummy", ) rf_pipeline = Pipeline( [ ("smi2mol", SmilesToMolPipelineElement()), ("mol2cleanmol", MelloddyPipelineElement()), ("mol2phys", MolToRDKitPhysChem()), ("rf", RandomForestRegressor(n_estimators = 100, random_state = 42,oob_score=True)), ], n_jobs=n_jobs, memory=joblib.Memory(), )
Could perhaps work if one checks during init which type the pipeline element has? Could be an issue with hyperparams? Alternative: molpipeline.stack_pipelines(list_of_pipelines)
molpipeline.stack_pipelines(list_of_pipelines)
instead of
Could perhaps work if one checks during init which type the pipeline element has? Could be an issue with hyperparams? Alternative:
molpipeline.stack_pipelines(list_of_pipelines)