The default heat capacity unit is cal/K/mol, but it was considered as J/K/mol by mistake.
The conversion is added to fix this error.
Other changes include:
Add an option to input Hsubl_298, Cp_gas, Cp_solid values instead of using the model-predicted ones for T-dep solubility prediction
Load the SoluteML model in SolubilityModels class instead of SolubilityPredictions class. This allows the user to load the SoluteML model only once and make multiple predictions without having to load the SoluteML model again.
Completely silence the verbosity (logging) if verbose = False
Add an option to load all models first and provide as an input argument for predict_property and calculate_solubility functions in calculate_solubility.py. This will prevent the same models from being loaded each time any prediction is made and instead requires the models to be loaded only once and therefore saves computational time.
The default heat capacity unit is cal/K/mol, but it was considered as J/K/mol by mistake. The conversion is added to fix this error.
Other changes include:
SolubilityModelsclass instead ofSolubilityPredictionsclass. This allows the user to load the SoluteML model only once and make multiple predictions without having to load the SoluteML model again.verbose = Falsepredict_propertyandcalculate_solubilityfunctions incalculate_solubility.py. This will prevent the same models from being loaded each time any prediction is made and instead requires the models to be loaded only once and therefore saves computational time.