Running cloud-based simulations can save significant time and local computing power, especially for molecular modelers working with resource-intensive tools like AlphaFold or GROMACS. But monitoring your jobs, accessing results, and maintaining an organized workflow across different simulations can quickly become overwhelming. That’s where SAMSON’s Job Manager steps in.
Whether you’re predicting protein structures or running dynamics simulations, SAMSON lets you launch computations to the cloud directly from its interface. But once a job is submitted, what happens next? How do you keep track of everything without losing context? Let’s explore how the Job Manager helps solve this problem.
What is the Job Manager?
The Job Manager is an integrated interface within SAMSON that allows you to manage cloud-based computations. It acts as a central hub where users can:
- Create jobs directly from SAMSON extensions that support cloud computations
- Start, pause, or stop cloud jobs
- Receive computation results back into SAMSON
This makes it easier to keep track of simulation progress and access results, without the need to manually manage files or remember upload/download locations.
Viewing and Organizing Results
Clicking on a job in the Job Manager automatically displays its details on the right-hand panel. This gives you quick access to:
- Job metadata (e.g., name, status)
- Progress updates
- Attached notes and annotations
Notes and job names are synced to your SAMSON Connect account, making it easier to organize your work across sessions and machines.
Accessing Your Files
Downloaded results can be retrieved simply by double-clicking on the job. This ensures that not only is your data accessible, but also logically tied to its source computation.
For even more control, right-clicking on a job brings up the Context Menu, which gives you options to:
- Open downloaded (local) files
- Browse remote (cloud) files
- View the job in SAMSON Connect
Who Has Access?
Finally, controlling who can see these jobs is managed through SAMSON Connect. You can choose to keep your computations private or share them with collaborators, making it easier to work as a team on complex molecular design projects.
For modelers juggling multiple simulations, especially when running them in parallel or during long-time scale dynamics, the Job Manager solves a fundamental logistical problem: keeping everything organized, accessible, and reproducible.
To learn more about SAMSON Cloud Services and the Job Manager, check out the full documentation at https://documentation.samson-connect.net/users/latest/cloud/.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at https://www.samson-connect.net