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AIMMD
AIMMD

Getting Started

  • Installation
  • Quickstart

Tutorials

  • Tutorials
    • AIMMD toy tutorial: 1D double-well path sampling
    • AIMMD multi-system (multi-ligand) tutorial

User Guide

  • Concepts
  • Workflow
  • Parameters
  • Advanced Usage

Background

  • Scientific Background

Reference

  • API Reference
    • Params
    • Path
    • PathEnsemble
    • Worker
    • Launcher
    • Network
    • Analysis
    • Utilities
    • Package and configuration

Developer

  • Developer Guide
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Copyright © 2025, Gianmarco Lazzeri, Simon Lichtinger
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