feat: Add comprehensive benchmarking suite- Add run_benchmark.py for …#1
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yaswanth169 wants to merge 1 commit intodrorlab:mainfrom
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feat: Add comprehensive benchmarking suite- Add run_benchmark.py for …#1yaswanth169 wants to merge 1 commit intodrorlab:mainfrom
yaswanth169 wants to merge 1 commit intodrorlab:mainfrom
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…automated benchmark execution- Add evaluate_metrics.py for RMSD and coverage computation- Add generate_report.py for Markdown/HTML reports- Add YAML configs for all 4 benchmark datasets- Add 12 unit tests with full coverage- Add README.md documentationThis new module enables reproducible research evaluations onConforMix benchmark datasets (domain motion, fold-switching,cryptic pockets, membrane transporters).
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Comprehensive Benchmarking Suite for ConforMix
Authors:
Devavarapu Yaswanth, Ireddi Rakshitha
Overview
This PR adds a fully additive, end-to-end benchmarking suite to the ConforMix repository.
The goal is to enable reproducible, standardized evaluation of ConforMix across all provided benchmark datasets, without modifying any existing model or sampling code.
All changes are confined to a new top-level
benchmarks/module.Motivation
ConforMix provides:
However, the repository currently lacks:
This benchmarking suite fills that gap by providing a research-focused evaluation framework suitable for:
What’s Included
New
benchmarks/Module