Cloud computing is becoming a standard tool in molecular design workflows. It allows researchers to run resource-demanding tasks like protein structure prediction or molecular dynamics simulations without investing in high-performance local hardware. However, managing multiple cloud jobs efficiently and keeping track of their status, inputs, and results can be a challenge.
If you’re using SAMSON’s cloud services with tools like GROMACS Wizard or AlphaFold, you might have noticed how important it is to stay organized. Fortunately, SAMSON provides a dedicated tool – the Job Manager – to help you monitor and control your cloud jobs from a single place.
The Challenge of Managing Remote Jobs
Molecular modelers often run multiple simulations concurrently or in sequence: preparation jobs, dynamics, structure predictions, etc. Consolidating these scattered processes can get time-consuming. Worse, users may forget to download results or lose track of which parameters they used in each case. That’s where the Job Manager comes in.
What the Job Manager Does
Accessible from Interface > Job manager or using Ctrl+6 / Cmd+6, the Job Manager in SAMSON provides a clear overview of all your cloud jobs. Here’s what you can do with it:
- Submit and monitor jobs: Launch calculations directly from extensions that support this feature, such as GROMACS Wizard or AlphaFold integration. Once submitted, follow the progress and control execution (start, pause, stop).
- View job details: Clicking on a job reveals key metadata, such as creation time and status, on the right panel. You can rename the job or add notes, which sync automatically with your SAMSON Connect account.
- Download and explore results: Double-clicking a job downloads all associated files. A convenient context menu allows further navigation between local and cloud-stored files.
- Share and collaborate: Easily find links to view or share the job on SAMSON Connect, which is particularly useful for team collaborations.
Visual Walkthrough
Here’s a look at what you’ll see and use when managing jobs in SAMSON:
Job Manager interface:
Job details and editing:
Downloading job files:
Using the Context menu for job actions:
Why It Matters
Having a centralized interface for job management makes it easier to keep your research organized. You can avoid accidental data loss, resume jobs efficiently, and keep a clear record of your modeling sequence. The ability to sync notes and access files both locally and in the cloud adds flexibility that’s valuable in collaborative or reproducible research setups.
To learn more, visit the official documentation page.
SAMSON and all SAMSON Extensions are free for non-commercial use. You can download SAMSON at https://www.samson-connect.net.