Supported Applications

Description

is an all-atom ligand-conditioned protein sequence design and sidechain packing model that accounts for the presence of small molecules, including hydrogens. It utilizes a ligand-conditioned Message Passing Neural Network architecture to design sequences for specific binding sites and can perform both de novo design and sidechain repacking. The tool is trained on protonated structures to ensure accurate physical modeling of protein-ligand interactions.

Usage

Installation