Supported Applications

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