|
3 | 3 | !!! warning "Attention" |
4 | 4 |
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5 | 5 | This part of the documentation is still work in progress. |
| 6 | + |
| 7 | +## What you will learn |
| 8 | + |
| 9 | +- Launch interactive and non-interactive NORTH tools from the NOMAD user interface |
| 10 | +- Run analyses directly on data stored in NOMAD without downloading it locally |
| 11 | +- Work with NOMAD data inside a Jupyter-based NORTH environment |
| 12 | +- Write analysis results back to NOMAD using the NOMAD API |
| 13 | +<!-- - TODO: Understand when to use NORTH tools instead of local analysis workflows --> |
| 14 | + |
| 15 | +## When to use NORTH for data analysis |
| 16 | + |
| 17 | +NORTH is intended for analyses that: |
| 18 | + |
| 19 | +- Require dedicated or complex software environments |
| 20 | +- Should run close to the data stored in NOMAD |
| 21 | +- Need to be reproducible and shareable with other users |
| 22 | +- Are impractical to execute locally due to data size or dependencies |
| 23 | + |
| 24 | +Typical examples include domain-specific analysis tools, post-processing workflows, and |
| 25 | +interactive exploration using Jupyter notebooks. |
| 26 | + |
| 27 | +## Launching NORTH tools from NOMAD |
| 28 | + |
| 29 | +All NORTH tools are executed in isolated Docker containers and can be invoked from any |
| 30 | +NOMAD dataset, independent of how the data was originally uploaded or processed. |
| 31 | + |
| 32 | +From the graphical user interface, NORTH tools can be launched directly from: |
| 33 | + |
| 34 | +- Upload views |
| 35 | + |
| 36 | +- Entry views |
| 37 | + |
| 38 | +- Dataset or search result contexts |
| 39 | + |
| 40 | +<!-- INSERT SCREENSHOT: NOMAD UI showing available NORTH tools --> |
| 41 | + |
| 42 | +Selecting a tool triggers the creation of a new execution environment for that tool. Depending on the tool type, this may start |
| 43 | +an interactive Jupyter session or a remote desktop application. |
| 44 | + |
| 45 | +The tool receives references to the selected NOMAD data as input and runs independently of the user’s local system. |
| 46 | + |
| 47 | +## Working with data in a Jupyter-based NORTH tool |
| 48 | + |
| 49 | +For Jupyter-based tools, launching the tool opens a notebook environment running inside a NORTH-managed container. |
| 50 | + |
| 51 | +Within this environment, you can: |
| 52 | + |
| 53 | +- Access NOMAD data associated with the selected dataset |
| 54 | + |
| 55 | +- Load archives, files, or metadata programmatically |
| 56 | + |
| 57 | +- Use standard Python libraries together with NOMAD-specific APIs |
| 58 | + |
| 59 | +<!-- INSERT EXAMPLE: minimal notebook snippet showing data access --> |
| 60 | + |
| 61 | +The Jupyter environment is isolated and reproducible: all dependencies are defined by the tool’s container image, |
| 62 | +ensuring consistent behavior across users and sessions. |
| 63 | + |
| 64 | +## Writing results back to NOMAD |
| 65 | + |
| 66 | +Analysis results produced in NORTH can be written back to NOMAD. THis may include |
| 67 | +derived data, additional metadata, or files and artifacts that were created during |
| 68 | +the analysis. |
| 69 | + |
| 70 | +As each tool runs in its own separate environment, one cannot directly access NOMAD |
| 71 | +through the GUI. Instead, we use the NOMAD API from within the tool environment. |
| 72 | + |
| 73 | +<!-- INSERT EXAMPLE: API call writing derived data --> |
| 74 | + |
| 75 | +When results are written back, the analysis execution itself can be represented as a NOMAD entry, recording: |
| 76 | + |
| 77 | +Input data references |
| 78 | + |
| 79 | +Tool parameters and versions |
| 80 | + |
| 81 | +Produced outputs |
| 82 | + |
| 83 | +This establishes explicit provenance links between original data and derived results. |
| 84 | + |
| 85 | +## Further resources |
| 86 | + |
| 87 | +- How to create and configure NORTH tools: [How-Tos> ... > Entry point types > NORTH tools](../../../howto/plugins/types/north_tools.md) |
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