Welcome to the Asclepius API
The Asclepius API gives you full programmatic access to the Asclepius molecular dynamics engine — letting you automate workflows, upload data, build systems, launch simulations, run analyses, and retrieve results entirely from your own applications. Whether you’re integrating Asclepius into a research pipeline, building internal tools, or automating large-scale simulation workloads, this documentation is your starting point.Get started quickly
Jump in and learn the core concepts of running simulations with Asclepius.Quickstart Guide
A simple, five-step walkthrough to submit your first simulation.
Explore what you can build
Use the API to tailor Asclepius to your exact needs.Develop with the API
Learn how to authenticate, upload files, create systems, and launch simulations programmatically.
Upload & Manage Data
Add molecular structures, force fields, and other resources for use in your workflows.
Build & Simulate
Construct molecular systems and submit MD simulations using customizable parameters.
Analyze Results
Retrieve outputs, inspect trajectories, and run analysis pipelines.
Want to see what’s possible?
Explore example datasets
Browse curated molecular dynamics datasets created using Asclepius.
Ready to begin?
Use this documentation as your guide as you integrate Asclepius into your scientific or engineering workflows.If you get stuck, have questions, or want feature guidance, feel free to reach out or explore additional examples in the dataset bank.