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DeepRank-GNN-esm

  • Description

    a graph neural network framework for scoring protein-protein interfaces that incorporates ESM-2 language model embeddings. The tool provides both a command-line interface for direct complex scoring and a Python framework for custom applications, generating predictions of interface quality (fnat values) from PDB structures. It includes pre-trained models and supports both CPU and GPU environments for analyzing protein-protein binding interfaces.

  • Usage

    To list all executables provided by DeepRank-GNN-esm, run: $ sbgrid-list deeprank-gnn-esm Copy to clipboard

  • Installation

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

  • Primary Citation*

    X. Xu and A. M. J. Bonvin. 2024. Ranking protein-protein models with large language models and graph neural networks. arxiv.


    • *Full citation information available through

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