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feat: Add AlphaFold3 structure prediction tool#278

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yaswanth169 wants to merge 2 commits intosnap-stanford:mainfrom
yaswanth169:main
Open

feat: Add AlphaFold3 structure prediction tool#278
yaswanth169 wants to merge 2 commits intosnap-stanford:mainfrom
yaswanth169:main

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Summary

Adds a comprehensive AlphaFold3 integration for predicting protein structures and molecular complexes.

Features

  • Single protein structure prediction
  • Protein-protein complex modeling
  • Protein-DNA/RNA interaction prediction
  • Protein-ligand binding prediction
  • Batch processing support
  • Confidence analysis utilities

Files Added

  • biomni/tool/structure_prediction.py - Core prediction module
  • tests/test_structure_prediction.py - 33 unit tests
  • docs/structure_prediction.md - Documentation

Testing

All 33 unit tests pass.

Notes

  • Zero modifications to existing codebase
  • Follows existing code patterns from database.py

Authors

  • Yaswanth Devavarapu
  • Rakshitha Ireddi

yaswanth169 and others added 2 commits January 28, 2026 00:50
- Add biomni/tool/structure_prediction.py with functions for:
  - Single protein structure prediction
  - Protein-protein complex modeling
  - Protein-DNA/RNA interaction prediction
  - Protein-ligand binding prediction
  - Batch processing and confidence analysis
- Add comprehensive unit tests (33 tests)
- Add documentation in docs/structure_prediction.md
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