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Add sequence benchmark lookups#3

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samuelstanton merged 4 commits intomainfrom
add-sequence-benchmark-lookups
Mar 30, 2025
Merged

Add sequence benchmark lookups#3
samuelstanton merged 4 commits intomainfrom
add-sequence-benchmark-lookups

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This PR adds three lookup-based benchmark functions for biological sequence optimization:

  • TFBIND8Lookup: An 8-mer DNA transcription factor binding benchmark
  • TRPBLookup: A 4-residue tryptophan synthase benchmark (amino acid alphabet)
  • DHFRLookup: A 9-mer dihydrofolate reductase benchmark (DNA alphabet)

All implementations follow a consistent pattern, providing:

  • Data loading from pre-computed measurements
  • Comprehensive tests with 100% coverage
  • Hydra configurations for use with benchmark_optimizer

These benchmarks will help us compare algorithm performance on biologically-motivated sequence optimization
tasks against Ehrlich functions.

samuelstanton and others added 2 commits March 29, 2025 20:28
Implemented a new lookup-based TFBIND8 function that retrieves binding scores from a pre-computed dataset. This implements the BoTorch SyntheticTestFunction API and can be used with the genetic algorithm optimizer.

Key changes:
- Add TFBIND8Lookup class with data loading from variationalsearch GitHub repo
- Add unit tests for all class functionality
- Add Hydra config for the TFBIND8 benchmark
- Update test_functions/__init__.py to expose the new function
- Add TRPBLookup: A 4-residue tryptophan synthase benchmark
- Add DHFRLookup: A 9-mer dihydrofolate reductase benchmark
- Create synthetic data for both benchmarks with plans to replace with real data
- Add comprehensive tests and Hydra configs for both benchmarks
- Update __init__.py files to expose the new benchmarks

🤖 Generated with [Claude Code](https://claude.ai/code)
Co-Authored-By: Claude <noreply@anthropic.com>
@samuelstanton samuelstanton self-assigned this Mar 30, 2025
@samuelstanton samuelstanton merged commit e200b6a into main Mar 30, 2025
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