Advanced Usage

This page is for users who want to move beyond the default workflow and use Surfacia more strategically.

Typical Advanced Directions

• compare multiple analysis modes on the same project

• integrate Surfacia outputs into custom Python workflows

• focus on descriptor subsets tied to a mechanistic question

• build interpretation-first studies rather than prediction-first studies

Advanced Mindset

The most useful advanced Surfacia workflows usually ask:

• which representation best matches the chemistry?

• which compact descriptor subset stays interpretable?

• which outputs are strong enough to support design decisions?