custom scripts

What are Some Best Practices?

To make the most out of custom scripts in catalysis, consider the following best practices:
1. Modular Coding: Write scripts in a modular fashion, breaking down the code into smaller, reusable functions.
2. Documentation: Provide comprehensive documentation and comments within the code to make it easier to understand and use.
3. Version Control: Use version control systems like [Git]( href ) to track changes and collaborate with others.
4. Testing: Regularly test the script with different datasets to ensure its robustness.
5. Open Source: Whenever possible, share your scripts as [open-source]( href ) to contribute to the scientific community.

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