GitHub repository: AmandaStange/CharmmGuiAuto
Primary language: Python
Created: 2024-05-29T05:40:21Z
Description: CharmmGuiAuto is a tool designed to streamline and automate interactions with CHARMM-GUI, the web-based graphical user interface for CHARMM (Chemistry at HARvard Macromolecular Mechanics). This tool simplifies the process of preparing input files for molecular dynamics simulations.