Molecular modeling is an exciting but challenging field, especially when it comes to integrating different tools into a cohesive workflow. Many researchers spend a significant amount of time connecting existing software, writing wrappers, or just manually transferring data between tools. It’s not just a time sink—it increases the risk of errors and adds complexity to workflows.
This is exactly where SAMSON’s Apps come in. If you are using the SAMSON platform for integrative molecular design, you already have access to a modular system of Apps that extend its functionality in useful and often surprising ways.
What Are SAMSON Apps?
In SAMSON, an App is a type of Extension that provides specific capabilities. These capabilities range from integrating external executables or online services, to wrapping existing code, or even providing entirely new functionality based on the SAMSON API.
For example, you might want to run docking simulations using AutoDock Vina. Instead of switching between tools or coding up an interface from scratch, you can simply install the AutoDock Vina Extended App, which streamlines the entire process inside SAMSON’s interface.
Where to Find Apps
By default, SAMSON includes a set of useful Apps when you first install it. You can access them through Home > Apps in the SAMSON user interface. But things get even more interesting when you visit SAMSON Connect. This is an online repository where you can browse and download additional Apps based on your needs—whether you’re doing structure prediction, molecular dynamics, or quantum chemistry.
Why This Matters
The biggest advantage of using Apps in SAMSON is reduced integration overhead. Rather than building your molecular workflow from scratch using separate tools, SAMSON Extensions (including Apps) are designed to work seamlessly together. This makes it easier to explore different hypotheses, test scenarios, and iterate quickly without getting bogged down in technical problems unrelated to your science.
Build Your Own
If you’ve developed your own code for molecular modeling in the past, SAMSON also provides tools and documentation to help you integrate it as an App. You don’t need to rewrite everything—just interface your code with SAMSON using the Extension Generator and its APIs.
Whether you need specialized algorithms or simple integration with external tools, creating your own SAMSON App can bring your project to the next level, while making it easy to share your tool with the broader SAMSON community.
Learn more about how Apps can simplify your molecular modeling at the SAMSON documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.