For molecular modelers, juggling multiple computations and simulations can be a challenge, especially when these tasks need cloud resources. The Job Manager in SAMSON simplifies this process, acting as a centralized hub to manage, track, and retrieve results for your computational tasks seamlessly.
The Job Manager allows users to:
- Create jobs using SAMSON extensions that support computational workflows like AlphaFold, NVIDIA BioNeMo, or GROMACS.
- Monitor and control jobs in the cloud—start, pause, or stop them at your convenience.
- Retrieve results directly back into SAMSON without additional steps.
Once you open the Job Manager (Interface > Job manager in SAMSON), you get detailed insights into every job. Simply click on a job, and its details appear on the right side of the interface. This not only displays significant information but also enables rapid organization of your workflow. Need to rename a job or add specific notes for future reference? You can easily do so, and all edits are synced with your SAMSON Connect account.
The Job Manager also offers convenient opportunities for downloading results:
Downloading all files related to a job is as simple as double-clicking it in the list. Whether you’re revisiting simulations or analyzing results offline, this straightforward approach saves time and enhances workflow efficiency.
Effortless navigation is a key highlight. The job context menu simplifies access to specific data related to each job:
- Access local files that have already been downloaded.
- Retrieve remote files stored in the cloud.
- Directly view jobs on SAMSON Connect for collaboration.
SAMSON Connect also enables users to share jobs and control their visibility, ensuring seamless collaboration with colleagues. Whether you're working on molecular dynamics, structural predictions, or machine learning models for biology, the Job Manager centralizes these tasks to make your workflows smoother and more efficient.
If you're exploring workflows in the cloud for the first time, SAMSON offers a step-by-step example for launching tasks, such as using the GROMACS Wizard. You can follow this guide to get started effortlessly.
To dive deeper into how the Job Manager works and explore its full capabilities, visit the original documentation at https://documentation.samson-connect.net/users/latest/cloud/.
SAMSON and all SAMSON Extensions are free for non-commercial use. Download SAMSON today at https://www.samson-connect.net.