Supported Applications
PXDesignBench
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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.
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Usage
To list all executables provided by PXDesignBench, run:$ sbgrid-list pxdesignbench -
Usage Notes
Run with the following in place of
python run.pyandpython run_monomer.py: pxdesignbench.run pxdesignbench.run_monomer -
Installation
Use the following command to install this title with the CLI client:$ sbgrid-cli install pxdesignbenchAvailable operating systems: Linux 64
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Keywords
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Default Versions
Linux 64:  0.1.1 (15.8 GB)