4. Queries in AiiDA: The Querybuilder¶
This part of the tutorial is provided only in interactive mode through a
Jupyter notebook, which you will be able to run in your browser.
For instructions on starting the Jupyter server, please refer to the
setup section. Once the server is running,
download this tutorial notebook
and open it in Jupyter. For instructions on downloading these files on
a machine through which you are connected through SSH, refer to
The notebook will show you how the
QueryBuilder can be used to query your
database for specific data. It will demonstrate certain concepts and then ask
you to use those to perform certain queries on your own database. Some of these
question cells will have partial solutions that you will have to complete.
Once you have finished the notebook, you can download a
notebook with the solutions
but try not to use them at first!
See below for a rendered version of the notebook:
- 4.1. QueryBuilder Notebook
- 4.1.1. 1. Introduction to the QueryBuilder
- 4.1.2. 2. Projection and filters
- 4.1.3. 3. Defining relationships between query clauses
- 4.1.4. 4. Attributes and extras
- 4.1.5. 5. A small high-throughput study