Final Descriptors

The final descriptors stage recomputes descriptor values on the surviving molecule set near the end of the pipeline. This stage is primarily a reporting and comparison stage:

• it recalculates descriptors after all enabled filtering stages have narrowed the molecule set
• it gives the final report a clean “survivor profile”

HEDGEHOG computes descriptors twice using config_descriptors.yml:

1. Initial descriptors to filter molecules early in the pipeline
2. Final descriptors to summarize the final survivors

Output

Final descriptor artifacts are written under:

stages/07_descriptors_final/