Molecular modelers often juggle multiple cloud-based simulations — from protein structure prediction with AlphaFold to molecular dynamics with GROMACS. But when many jobs are running, waiting, or paused, it’s easy to lose track. Where’s that important trajectory saved? Did a calculation finish? Has that file been downloaded yet?
That’s where the Job Manager in SAMSON helps. It’s built to simplify managing cloud simulations so you can focus more on science, not file hunting.
Getting to Know the Job Manager
To open the Job Manager, go to Interface > Job manager in SAMSON. Once there, you’ll see a clear dashboard of your cloud computations, making it easy to check their status, view results, and organize your workflows.
The Job Manager is especially valuable if you:
- Run multiple simulations and want to monitor them in one place
- Prefer visual interfaces to command-line tools
- Need an easy way to retrieve and organize job results
Starting and Monitoring Jobs
Jobs can be created right within SAMSON if you’ve installed extensions that offer cloud functionality. Once a job is submitted, you can monitor it through a familiar traffic-light-style interface — green for running, yellow for queued, red for stopped.
You can also start, pause, or stop jobs as needed, and view progress and logs in real time. It essentially brings the cloud down to your desktop.
Diving Into Job Details
Click on a job in the manager to view detailed information on the right side. You’ll see timelines, status messages, and computed results. It’s all efficiently laid out to reduce clutter.
Renaming, Annotating, and Organizing
You can edit the job’s name and add notes. These sync automatically with your SAMSON Connect account, helping you remember what each job was for and who it’s shared with.
Easy File Access
Double-clicking a job downloads all associated files in one go. It’s ideal when working offline or sharing results with collaborators.
Advanced Controls
The Context Menu lets you jump directly to local files, remote files, or open the job on SAMSON Connect.
A More Organized Workflow
Whether you’re running a dozen GROMACS simulations or predicting 3D protein structures with BioNeMo, staying organized is essential. The Job Manager helps molecular modelers build a structured workflow, reduce error-prone file handling, and spend more time analyzing data instead of searching for it.
You can see an example of running cloud simulations with GROMACS. For a full overview of cloud computation features, visit the SAMSON Cloud Documentation.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON here.