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Feature Engineering second take with new addtions - #6

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amruthesht merged 5 commits into
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person2-feature-engg
Aug 10, 2026
Merged

Feature Engineering second take with new addtions#6
amruthesht merged 5 commits into
mainfrom
person2-feature-engg

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@amruthesht

@amruthesht amruthesht commented Jul 27, 2026

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Summary

Follow-up to the initial feature extraction PR. Completes Person 2 Tier 1:

  • Add domain delta features — inter-helix distance/angle changes relative to curated reference structures (same refs as RMSD: 3F3E, 3F3A, 3F4J, 3USI)
  • Add feature column manifest in docs/features.md (computed vs copied columns)
  • Add tests for self-delta ≈ 0 and non-zero IF vs OF deltas
  • Remove unused sort_by_resid helper

Example new features

domain_TM1_TM7_distance_delta_vs_3F3E domain_TM1_TM7_angle_delta_vs_3F3A domain_gate_TM1_TM6_distance_delta_vs_3F4J

Delta = query structure value − reference structure value.

Test plan

  • pytest tests/test_features.py -v (8/8 passing)
  • Self-delta for 3F3E vs 3F3E ≈ 0
  • 3F3A vs 3F3E shows non-zero domain deltas
  • Regenerate feature vectors locally if needed: python scripts/extract_feature_vectors.py

Compute inter-helix distance and angle changes relative to curated
reference PDBs, and document the full feature column manifest for Person 3.

@orbeckst orbeckst left a comment

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LGTM!

@orbeckst

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Try

ruff format .

@amruthesht
amruthesht merged commit 6519456 into main Aug 10, 2026
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@amruthesht
amruthesht deleted the person2-feature-engg branch August 10, 2026 22:46
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2 participants