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MassiveFold

  • Description

    is a tool designed to expand structure prediction sampling by optimizing the parallelization of AlphaFold-based predictions across GPU clusters. It automatically splits large prediction runs into batches distributed across multiple GPUs, with alignment computations performed on CPUs, and gathers all results into a single ranked output with comprehensive visualization plots. The tool supports AFmassive, ColabFold, and AlphaFold3 as inference engines and is optimized for SLURM workload managers, while remaining usable for sequential execution on single-GPU servers.

  • Usage

    To list all executables provided by MassiveFold, run: $ sbgrid-list massivefold Copy to clipboard

  • Installation

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