Ligand-X

Documentation

Install Ligand-X and run your first workflow.

Install the workbench with the desktop launcher or Docker Compose, configure its services, and follow a guide through your first calculation.

Installation and configuration

Check system requirements, install the desktop launcher or container runtime, complete first launch, optionally edit configuration, and start the application on your workstation.

Scientific walkthroughs

Follow practical guides for protein cleaning, molecular docking, molecular dynamics, absolute and relative binding free energy, and quantum chemistry.

API reference

Explore the Ligand-X interfaces for projects, proteins, molecules, poses, pockets, jobs, health checks, authentication, and live job updates.

Download Ligand-X View Ligand-X on GitHub