A calmer way to manage molecular jobs that run in the cloud

A cloud calculation can finish far from your desk, while your attention is on another model or task. Later, the practical questions begin: Which job was that? Where are its files? Have I brought the results back into SAMSON, and who can view the job? A consistent job-management routine helps answer these questions without relying on memory.

SAMSON’s Job Manager brings cloud jobs together in one place. It supports jobs created by SAMSON extensions, lets you start, pause, or stop jobs, and provides a way to monitor them and retrieve their results. Cloud calculations require Computing Credits, so check your available credits before launching work.

SAMSON Job Manager — The Job Manager is the central place to manage cloud jobs launched from SAMSON.

Build a useful record while the job is fresh

Open the Job Manager from Interface > Job manager. You can also use Ctrl+6 on Windows or Cmd+6 on macOS. Select a job to see its details on the right side of the manager.

One small habit can save time later: give each job a meaningful name and add a short note while you still remember why you launched it. A name that distinguishes the project or purpose is more useful than a generic label; notes can capture the context you will want when reviewing the job. Job names and notes are automatically synced with your SAMSON Connect account, which can help keep that record available there too.

Job name and notes in the Job Manager — Use the job name and notes to preserve context for later review.

Know where the files are

Cloud files and files already downloaded to your computer are not the same thing. The Job Manager’s context menu provides access to both local files and remote files, as well as the job’s view on SAMSON Connect. That distinction is worth checking before assuming a result is already available locally.

To download all files for a job, double-click the job. After retrieval, the local files can be accessed through the context menu. This gives you a simple sequence to follow: find the job, inspect its details, download its files when needed, and use the local-file access option to locate what has already been retrieved.

Downloading job files from the Job Manager — Double-click a job to download all of its files.

Share access deliberately

Jobs launched from SAMSON—including workflows using tools such as AlphaFold, NVIDIA BioNeMo services, or GROMACS—are accessible from SAMSON Connect. The job’s context menu can take you to its view there. SAMSON Connect also lets you control who has access, so it is a useful place to check visibility and sharing permissions when collaborating. A job being available in your account does not mean you should assume everyone else can see it; review access when you intend to share.

In short, keep the job identifiable, preserve its purpose in the notes, distinguish remote files from downloaded ones, and review access when sharing. These simple checks make it easier to return to a calculation and understand what happened without retracing every step.

For details, see the SAMSON Cloud computations documentation.

Note: SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON.