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README.md

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# qujax
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<div align="center">
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<a href="https://cqcl.github.io/qujax/">
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<a href="https://quantinuum.github.io/qujax/">
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<picture>
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<source srcset="docs/logo_dark_mode.svg" media="(prefers-color-scheme: dark)">
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<img src="docs/logo.svg">
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[![PyPI - Version](https://img.shields.io/pypi/v/qujax)](https://pypi.org/project/qujax/)
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[![DOI](https://joss.theoj.org/papers/10.21105/joss.05504/status.svg)](https://doi.org/10.21105/joss.05504)
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[**Documentation**](https://cqcl.github.io/qujax/) | [**Installation**](#installation) | [**Quick start**](#quick-start) | [**Examples**](https://cqcl.github.io/qujax/examples.html) | [**Contributing**](#contributing) | [**Citing qujax**](#citing-qujax)
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[**Documentation**](https://quantinuum.github.io/qujax/) | [**Installation**](#installation) | [**Quick start**](#quick-start) | [**Examples**](https://quantinuum.github.io/qujax/examples.html) | [**Contributing**](#contributing) | [**Citing qujax**](#citing-qujax)
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qujax is a [JAX](https://github.com/google/jax)-based Python library for the classical simulation of quantum circuits. It is designed to be *simple*, *fast* and *flexible*.
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It follows a functional programming design by translating circuits into pure functions. This allows qujax to [seamlessly interface with JAX](https://jax.readthedocs.io/en/latest/notebooks/Common_Gotchas_in_JAX.html#pure-functions), enabling direct access to its powerful automatic differentiation tools, just-in-time compiler, vectorization capabilities, GPU/TPU integration and growing ecosystem of packages.
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qujax can be used both for pure and for mixed quantum state simulation. It not only supports the standard gate set, but also allows user-defined custom operations, including general quantum channels, enabling the user to e.g. model device noise and errors.
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A summary of the core functionalities of qujax can be found in the [Quick start](#quick-start) section. More advanced use-cases, including the training of parameterised quantum circuits, can be found in the [Examples](https://cqcl.github.io/qujax/examples.html) section of the documentation.
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A summary of the core functionalities of qujax can be found in the [Quick start](#quick-start) section. More advanced use-cases, including the training of parameterised quantum circuits, can be found in the [Examples](https://quantinuum.github.io/qujax/examples.html) section of the documentation.
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## Installation
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Start by defining the quantum gates making up the circuit, the qubits that they act on, and the indices of the parameters for each gate.
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A list of all gates can be found [here](https://github.com/CQCL/qujax/blob/main/qujax/gates.py) (custom operations can be included by [passing an array or function](https://cqcl.github.io/qujax/statetensor/get_params_to_statetensor_func.html) instead of a string).
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A list of all gates can be found [here](https://github.com/Quantinuum/qujax/blob/main/qujax/gates.py) (custom operations can be included by [passing an array or function](https://quantinuum.github.io/qujax/statetensor/get_params_to_statetensor_func.html) instead of a string).
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```python
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from jax import numpy as jnp
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# Array([-2.987832], dtype=float32))
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```
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Mixed state simulations are analogous to the above, but with calls to [`get_params_to_densitytensor_func`](https://cqcl.github.io/qujax/densitytensor/get_params_to_densitytensor_func.html) and [`get_densitytensor_to_expectation_func`](https://cqcl.github.io/qujax/densitytensor/get_densitytensor_to_expectation_func.html) instead.
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Mixed state simulations are analogous to the above, but with calls to [`get_params_to_densitytensor_func`](https://quantinuum.github.io/qujax/densitytensor/get_params_to_densitytensor_func.html) and [`get_densitytensor_to_expectation_func`](https://quantinuum.github.io/qujax/densitytensor/get_densitytensor_to_expectation_func.html) instead.
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A more in-depth version of the above can be found in the [Getting started](https://cqcl.github.io/qujax/getting_started.html) section of the documentation. More advanced use-cases, including the training of parameterised quantum circuits, can be found in the [Examples](https://cqcl.github.io/qujax/examples.html) section of the documentation.
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A more in-depth version of the above can be found in the [Getting started](https://quantinuum.github.io/qujax/getting_started.html) section of the documentation. More advanced use-cases, including the training of parameterised quantum circuits, can be found in the [Examples](https://quantinuum.github.io/qujax/examples.html) section of the documentation.
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## Converting from TKET
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A [`pytket`](https://cqcl.github.io/tket/pytket/api/) circuit can be directly converted using the [`tk_to_qujax`](https://cqcl.github.io/pytket-qujax/api/api.html#pytket.extensions.qujax.qujax_convert.tk_to_qujax) and [`tk_to_qujax_symbolic`](https://cqcl.github.io/pytket-qujax/api/api.html#pytket.extensions.qujax.qujax_convert.tk_to_qujax_symbolic) functions in the [**`pytket-qujax`**](https://github.com/CQCL/pytket-qujax) extension. See [`pytket-qujax_heisenberg_vqe.ipynb`](https://github.com/CQCL/pytket/blob/main/examples/pytket-qujax_heisenberg_vqe.ipynb) for an example.
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A [`pytket`](https://quantinuum.github.io/tket/pytket/api/) circuit can be directly converted using the [`tk_to_qujax`](https://quantinuum.github.io/pytket-qujax/api/api.html#pytket.extensions.qujax.qujax_convert.tk_to_qujax) and [`tk_to_qujax_symbolic`](https://quantinuum.github.io/pytket-qujax/api/api.html#pytket.extensions.qujax.qujax_convert.tk_to_qujax_symbolic) functions in the [**`pytket-qujax`**](https://github.com/Quantinuum/pytket-qujax) extension. See [`pytket-qujax_heisenberg_vqe.ipynb`](https://github.com/Quantinuum/pytket/blob/main/examples/pytket-qujax_heisenberg_vqe.ipynb) for an example.
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## Contributing
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You can open a bug report or a feature request by creating a new [issue on GitHub](https://github.com/CQCL/qujax/issues).
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You can open a bug report or a feature request by creating a new [issue on GitHub](https://github.com/Quantinuum/qujax/issues).
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Pull requests are welcome! To open a new one, please go through the following steps:
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1. First fork the repo and create your branch from [`develop`](https://github.com/CQCL/qujax/tree/develop).
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1. First fork the repo and create your branch from [`develop`](https://github.com/Quantinuum/qujax/tree/develop).
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2. Commit your code and tests.
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4. Update the documentation, if required.
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5. Check the code lints (run `black . --check` and `pylint */`).
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6. Issue a pull request into the [`develop`](https://github.com/CQCL/qujax/tree/develop) branch.
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6. Issue a pull request into the [`develop`](https://github.com/Quantinuum/qujax/tree/develop) branch.
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New commits on [`develop`](https://github.com/CQCL/qujax/tree/develop) will be merged into
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[`main`](https://github.com/CQCL/qujax/tree/main) in the next release.
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New commits on [`develop`](https://github.com/Quantinuum/qujax/tree/develop) will be merged into
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[`main`](https://github.com/Quantinuum/qujax/tree/main) in the next release.
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## Citing qujax

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