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MolSnapper

  • Description

    is a tool for conditioning diffusion models to generate 3D drug-like molecules, built on the MolDiff codebase. It integrates pretrained models and provides a streamlined workflow for sampling molecules from defined pockets, making it suitable for structure-based drug design applications. The software supports various data processing tasks, including dataset preparation and evaluation of generated molecules.

  • Usage

    To list all executables provided by MolSnapper, run: $ sbgrid-list molsnapper Copy to clipboard

  • Installation

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