The script.py file will help you with all the tests without INPUT data and tests that require creating a function or class but not calling them in the "Generation Python" courses.
To start testing you need to move all input and output test data from web-site Stepik to the "tests" folder.
The main.py file is just an illustrative solution to the task given in the task.txt file. Just like the test data in the tests folder. All of these files serve only to demonstrate how the script.py file works.