Many molecular modelers face a familiar challenge: you’ve already developed tools or use third-party software for simulations, docking, or visualization — but managing interoperability becomes time-consuming and error-prone. If you’re switching between tools or manually parsing results across platforms, you’re likely losing valuable time and risking reproducibility issues.
SAMSON, an integrative molecular design platform, provides an elegant solution: the ability to wrap existing code or services as Apps, making them feel native inside the SAMSON environment. This allows researchers to integrate their own functionality with SAMSON’s modeling and simulation tools, as well as with other SAMSON Extensions.
What is a SAMSON App?
In SAMSON, an App is not just a plugin — it can:
- Act as a connector to an external executable.
- Wrap a web service (useful for server-side computations or public chemistry APIs).
- Embed your own existing code within the SAMSON interface.
- Provide entirely new functionality based on the SAMSON API.
Why Molecular Modelers Should Care
If you’ve already built Python scripts for batch ligand screening, or developed custom analysis routines in C++, transforming these into Apps allows you to:
- Reduce friction between tools.
- Expose your tools in the same interface used for visualization and editing.
- Exchange data directly with other Extensions inside SAMSON.
This is particularly valuable in collaborative settings, where ensuring consistent environments can be challenging. By creating an App, your colleague or collaborator can use your tool via SAMSON — no need to install your code separately, run command-line operations, or navigate through incompatible formats.
Ready-Made and Extendable
SAMSON already comes with built-in Apps, and more are available via SAMSON Connect. For example, the AutoDock Vina Extended App integrates docking functionality into your workspace:
Seeing how functionality like AutoDock Vina can be embedded should help you imagine how your software can do the same — whether it’s conformer generation, scoring functions, or QM analysis tools.
How to Get Started
To develop your first App, check the resources on generating SAMSON Extensions. This will guide you through building an App skeleton, linking your code, and integrating it with SAMSON’s UI and database systems. From there, you can find detailed references on the Documentation center.
Where to Access Apps in SAMSON
To explore the Apps already available in your current installation, navigate to Home > Apps. You can find more or manage your collection through SAMSON Connect as well.
Whether you’re a researcher transitioning from script-driven workflows or a developer looking to share your functionality with others through a common platform, SAMSON Apps offer a streamlined path to integration and collaboration.
Learn more in the official documentation: https://documentation.samson-connect.net/users/latest/apps/
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.