For many molecular modelers, a recurring challenge is the dispersion of tools across multiple platforms. You might be using different software for docking, visualization, analysis, and data access. Each tool has its strengths, but switching between them adds friction to your workflow and can slow down discovery.
This is where apps in SAMSON come in. SAMSON is a platform designed to integrate multiple modeling tools in a unified environment. Whether you want to connect to an external simulator, wrap existing code, or build new interfaces, SAMSON lets you do it seamlessly via custom apps.
What is an App in SAMSON?
In SAMSON, an app is a flexible extension that can:
- Serve as an interface to external programs or web services, such as docking engines, machine learning pipelines, or databases.
- Expose previously developed code inside the SAMSON ecosystem.
- Provide new features using SAMSON’s Application Programming Interface (API).
This means that if you already have a computational chemistry script, a visualization algorithm, or a database-access tool, you can embed it in SAMSON. More than just a plugin, an app becomes part of a rich environment designed for seamless integration and interoperability with other SAMSON Extensions.
Where to Find and Add Apps
SAMSON provides a base set of apps by default. You can find and add more apps directly in the platform by navigating to Home > Apps.
For even more choices, head to SAMSON Connect, the online platform for downloading and managing extensions.
Want to Build Your Own?
If you’re working with your own methods or tools and want to join them with the SAMSON environment, there’s great news: you can develop your own apps.
SAMSON provides official documentation and tools to help you get started. The Extension Generator allows you to quickly scaffold your app. Whether you write in C++, Python (via wrappers), or want to connect to external APIs, the framework is built for you.
There’s also an extensive Documentation Center that covers API usage and best practices to help bring your ideas to life.
Custom apps in SAMSON are especially useful for:
- Docking workflows, where you might want to integrate AutoDock Vina or other algorithms
- Visualization modules for custom molecular representations
- AI-assisted molecule generation or prediction tools
- Bridging with remote APIs for structural databases or computation
Example: AutoDock Vina Extended App
One powerful integration is the AutoDock Vina Extended App, which allows advanced docking within SAMSON. It’s an example of how external programs can be tightly connected to streamline modeling tasks.
If you’ve always wanted to unify your modeling workflow under one roof, or if you’re building your own tools and want your colleagues to use them easily, SAMSON apps might be the solution you’re looking for.
Learn more about using and developing apps in SAMSON.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can get SAMSON at https://www.samson-connect.net.