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Supported Applications

DeepFRI

  • Description

    Deep functional residue identification

  • Usage

    To list all executables provided by DeepFRI, run: $ sbgrid-list deepfri Copy to clipboard

  • Usage Notes

    SBGrid curated DeepFRI provides the following callable programs. Note that we have aliased predict.py to predict_DeepFRI.py to prevent conflicts with existing programs of the same name.

    predict_DeepFRI.py

    train_DeepFRI.py

    viz_gradCAM.py

    python.deepfri

  • Installation

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

  • Primary Citation*

    Gligorijević V, P. D. Renfrew, T. Kosciolek, J. K. Leman, D. Berenberg, T. Vatanen, C. Chandler, B. C. Taylor, I. M. Fisk, H. Vlamakis, R. J. Xavier, R. Knight, K. Cho, and R. Bonneau. 2021. Structure-based protein function prediction using graph convolutional networks. Nature communications. 12(1): 3168.


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  1.0.0 (6.2 GB)

  • Developers

    P. Douglas Renfrew, Ramnik J Xavier, Rob Knight, Ian M Fisk, Richard Bonneau, Vladimir Gligorijevic, Valentyn Bezshapkin

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