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PXDesignBench

  • Description

    is a protein design evaluation suite for monomer and binder tasks that standardizes sequence generation, structure consistency assessment, and downstream metrics across tools including ProteinMPNN, ESMFold, AlphaFold2, and Protenix. It provides task-specific pipelines, wrappers for external models, and configurable JSON- or directory-based inputs for batch evaluation, bias-controlled ProteinMPNN sampling, and multi-GPU or distributed execution. Outputs include confidence and self-consistency metrics, designability and shape-based structural statistics, and summary CSVs for comparative analysis and post-processing.

  • Usage

    To list all executables provided by PXDesignBench, run: $ sbgrid-list pxdesignbench Copy to clipboard
  • Usage Notes

    Run with the following in place of python run.py and python run_monomer.py: pxdesignbench.run pxdesignbench.run_monomer

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install pxdesignbench Copy to clipboard Available operating systems: Linux 64
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