molprop.utils.utils

Functions

`check_model_path`
`convert_to_float`	Function to convert a string using , as decimal separator to float.
`custom_color_list`
`data_get_input_cols`
`data_get_output_cols`
`get_all_smiles_from_df`	Converts the smiles column in the DataFrame to a list.
`get_dict_hash`
`get_latest_single_model_folder`
`get_mol_w`	Calculate the molecular weight of a compound based on its SMILES representation.
`is_single_model_folder`
`json_convert_tensor_tolist`
`load_config`
`perform_train_test_split`	Function to create train test splits, takes file path of original dataset and stores train and test set respectively.
`read_data_to_df`	Converts a .csv file into a DataFrame.
`save_results`
`save_results_metrics`
`save_results_to_csv`
`seed_everything`
`write_metrics_to_txt`