Supported Applications

deeprank-gnn-esm

Description

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