quanti-gin

A customizable data generator for quantum simulation. Using this library, you can easily create larger sets of simulations and output data for optimizing molecule ground state. Per default, we are using Tequila as a quantum backend.

Installation

To install quanti-gin run pip install quanti-gin. This should install all required packages with quanti-gin.

Usage

For a basic data generation job use:

python -m quanti_gin 4 100

The basic format of the command line is:

python -m quanti_gin <number_of_atoms> <number_of_jobs>

If you want to learn about more parameters you can use help:

python -m quanti_gin -h

Customize the data generator

quanti-gin is designed so it can be easily customized with your heuristics for data generation. You can create your own version by simply subclassing the quanti_gin.DataGenerator class.

A full example of this can be found in examples/customized_generator.py.

You can run the example code by executing:

python -m quanti_gin.examples.customized_generator

Documentation and Visualization notebook

For a more detailed introduction and background, please take a look at the Summary.

Additionally, for more details on how to interpret and evaluate the generated data, take a look at the Visualization notebook.