Partially rewritten, the script now is capable to process a stack of SMILES strings piped from the CLI, or/and one/multiple text files indicated from the CLI each containing a list of SMILES. A reorganized test script for pytest now allowed a "factorial" or "matrix" based test of the scripts work on multiple os runner instances GitHub provides (ubuntu, windows, macos) vs Python interpreters 3.10 and 3.12.