Molecular modelers often face a recurring challenge: they have powerful stand-alone tools or custom scripts that work well in isolation, but integrating them into a larger working environment with visualization, simulation, and interactive editing can be difficult and time-consuming.
If you’ve found yourself jumping back and forth between command lines, Python scripts, and visualization environments just to test or analyze a model, you’re not alone. That’s why SAMSON Apps can be a game changer.
What Are SAMSON Apps, Really?
Apps in SAMSON are a specific type of extension designed to add functionality. They act as modular, plug-and-play building blocks that live directly inside the SAMSON platform. Whether you want to connect an external executable or web service, wrap a legacy computation code, or introduce completely new capabilities, apps are the right tool for the job.
From a user point of view, SAMSON Apps work just like any other feature in the platform. After installing an app from the SAMSON Connect Marketplace, simply launch it via Home > Apps or by using the Find everything search box at the top of the interface.
Typical Use Cases: Examples from the Field 🔬
Let’s say you have a molecular dynamics engine written in your lab. Instead of writing preprocessing and post-processing scripts every time, you can wrap that engine into a SAMSON App. Users can then run simulations directly in the environment, making use of SAMSON’s visualization, interaction models, and even share results through visual presets.
Apps can also:
- Query or process web-based databases
- Stream in real-time structural updates from a remote server
- Launch machine-learning models on molecular structures
- Control external hardware used in experiments, like AFM or spectrometers
SAMSON handles the data input/output, user interface, and visualization. You just provide the logic.
Why Not Just Write a Script?
While programming scripts do offer flexibility, SAMSON Apps give you two main advantages:
- Interactivity: Apps provide buttons, sliders, visuals, and more—that run live in the GUI.
- Modularity: Apps can be combined with other SAMSON Extensions (editors, models, visual presets) without re-implementation.
This allows researchers to create and share tools that are more user-friendly and durable than scripts alone.
Developer Notes and Resources
If you’re a developer interested in integrating your method into the SAMSON platform, you’ll need the SAMSON SDK. It includes templates and code samples to speed up development, including support for apps, editors, force fields, and geometric controllers.
Once your app is ready, you can distribute it via SAMSON Connect, configure subscription plans (if you choose to commercialize), or just make it freely available to the community.
Apps built for SAMSON can run on all supported platforms, thanks to the cross-platform capabilities of the SDK.
How to Get Started
To begin working with SAMSON Apps:
- Download and install SAMSON
- Explore or install available apps from the Marketplace
- If you’re a developer, learn more about building apps by visiting the Developer Guide
For advanced users and development details, check out the full documentation on extending SAMSON here: https://documentation.samson-connect.net/users/latest/extending-samson/
SAMSON and all SAMSON Extensions are free for non-commercial use. To get started, visit https://www.samson-connect.net.