A cloud calculation can solve one problem and create another: once it has been launched, where do you check its progress, find its files, or share the result? For molecular modelers moving between structure prediction and molecular dynamics, keeping those steps organized matters. SAMSON’s Job Manager provides a central place to manage cloud jobs launched from SAMSON, monitor them, retrieve their files, and connect them with collaborators.
This is especially useful when a calculation is not something you can inspect in one uninterrupted session. Instead of relying on memory to find a job later, use the Job Manager as the working record for its status, details, and downloaded results.
Start with one place to manage jobs
Open the Job Manager in SAMSON through Interface > Job manager. Jobs created by extensions that provide this functionality can be managed there. The manager supports executing jobs in the cloud, including starting, pausing, or stopping them, and monitoring them. When results are ready, you can bring them back into SAMSON.
A simple habit makes this interface more useful: treat each job as a small project record. When you select a job, its details appear on the right side of the Job Manager. Give the job a name that will still make sense weeks later, and add notes that capture the context you want to remember. Names and notes are automatically synced with your SAMSON Connect account, so they can help you recognize the job beyond the desktop session where it was launched.
Make future-you’s search easier
A useful job name answers more than “What molecule is this?” Consider including the purpose of the calculation or the condition that distinguishes it from related work—for example, a target or workflow name plus a concise run label. Use the notes for any additional context you will want when comparing jobs. This is a practical organization tip, not a required naming format.
This small amount of organization can reduce a common research interruption: reopening several jobs just to identify which one contains the calculation you intended to review. It also makes it easier to discuss a job with a colleague, because the name and notes give you a shared starting point.
Know where the files are
Cloud jobs involve files in two places: files stored remotely in the cloud, and files already downloaded to your computer. The Job Manager’s job context menu offers access to both kinds of files, as well as to the job’s view on SAMSON Connect. That distinction is helpful when you are looking for a result but are not sure whether you have retrieved it locally yet.
When you want to download all files for a job, double-click the job in the Job Manager. After downloading, the local files are available through the job’s context menu. This gives you a straightforward routine: use the job entry to retrieve its files, then use the context menu to get back to local or remote files as needed.
Share access deliberately
Jobs launched from SAMSON—including workflows using AlphaFold, NVIDIA BioNeMo services, or GROMACS—are accessible from SAMSON Connect. You can control who has access to them. Before sharing, check that you have selected the intended job and that its name and notes make its purpose clear. For the details of viewing jobs and managing sharing permissions, see the collaboration guide to sharing jobs.
One practical limitation to plan for: performing calculations in the cloud in SAMSON requires Computing Credits. If you are preparing a cloud workflow, check your available credits and account information before you begin. The documentation also describes a referral program for earning free Computing Credits.
A repeatable end-of-run routine
- Select the job and review its details.
- Update its name or notes so the purpose is easy to recognize later.
- Download all job files by double-clicking the job when you need them locally.
- Use the context menu to distinguish local files from remote files.
- Open the job on SAMSON Connect if you need to review or share access to it.
These steps turn job retrieval from a scavenger hunt into a manageable part of the computational workflow. For more information about cloud computations and the Job Manager, see the SAMSON cloud computations documentation.
Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.