Use case
Someone wants to unselect a model for a given prediction (without restarting the whole ensemble). This is especially common for our frontend which has toggle buttons.
Current status
To do this, one has to do something like
ensemble = BaseEnsemble(my_config)
full_preds = predict_smiles_list(my_smiles)
all_models = ensemble.models
ensemble.models = ensemble.models[:-1] # throw out last models
partial_preds = predict_smiles_list(my_smiles)
ensemble.models = all_models # restore models
This is cumbersome and error-prone.
How it should be
ensemble = BaseEnsemble(my_config)
full_preds = predict_smiles_list(my_smiles)
partial_preds = predict_smiles_list(my_smiles, use_models=["Model1", "Model2", "Model3")
This is easy to use (given that the user knows their model names, but that can be easily inferred from the ensemble. use_models specifies which models to use (default: all that are available),
Use case
Someone wants to unselect a model for a given prediction (without restarting the whole ensemble). This is especially common for our frontend which has toggle buttons.
Current status
To do this, one has to do something like
This is cumbersome and error-prone.
How it should be
This is easy to use (given that the user knows their model names, but that can be easily inferred from the ensemble.
use_modelsspecifies which models to use (default: all that are available),