Managing complex molecular computations often involves juggling multiple simulations, predictions, and datasets, which can be overwhelming. SAMSON’s Job Manager offers a streamlined way to organize, monitor, and interact with cloud-based molecular modeling tasks, allowing you to focus more on your science and less on logistics.
With the Job Manager, you can:
- Create jobs: Easily set up computational jobs directly from SAMSON, using extensions that allow cloud-based executions such as molecular dynamics with GROMACS or protein structure prediction using AlphaFold.
- Monitor jobs: Check the status of your simulations or predictions in real-time. Start, pause, and stop your jobs right from the interface.
- Retrieve results: Once the computations are complete, download all job files with just a few clicks.
Here’s a closer look at what makes the Job Manager indispensable:
Interactive Job Management
Opening the Job Manager is as simple as navigating to Interface > Job Manager in SAMSON. The interface provides a complete overview of your cloud-based tasks. For any job, click on it to view detailed information, including settings, status, and progress. The right-side panel displays this data in real-time, giving you full visibility into each computation.
Effortless File Management
Managing job-related files is even simpler. You can edit job names and notes, which are automatically synced with your SAMSON Connect account. Double-clicking any job allows you to download all files, ensuring you get all relevant data and results in one step.
Quick Access with Context Menus
The Job Manager also features a Context menu that simplifies navigation. For any job, right-click to directly access its local files, remote files stored in the cloud, or jump to the job view on SAMSON Connect. This feature is especially useful for collaborating with colleagues and sharing job details.
Collaboration and Sharing
Sharing computational work with collaborators is seamless. Jobs launched in the cloud are tied to your SAMSON Connect account, allowing you to control who has viewing or editing access. For detailed guidance on sharing, refer to Collaboration – Viewing and sharing jobs on SAMSON Connect.
Whether you’re simulating a complex molecular dynamic or running advanced AI-augmented predictions, SAMSON’s Job Manager empowers you to handle cloud computations with ease. Learn more by visiting the original documentation page: Cloud Computations.
SAMSON and all SAMSON Extensions are free for non-commercial use. Get SAMSON at SAMSON Connect.