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Update README (#132)
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PicoCentauri authored Dec 19, 2024
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Expand Up @@ -2,15 +2,15 @@ torch-pme
=========

.. image:: https://raw.githubusercontent.com/lab-cosmo/torch-pme/refs/heads/main/docs/src/logo/torch-pme.svg
:width: 200 px
:align: left
:width: 200 px
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|tests| |codecov| |docs|

.. marker-introduction
``torch-pme`` enables efficient, auto-differentiable computation of long-range
interactions in PyTorch. Auto-differentiation is supported for particle *positions*,
interactions in *PyTorch*. Auto-differentiation is supported for particle *positions*,
*charges*, and *cell* parameters, allowing not only the automatic computation of forces
but also enabling general applications in machine learning tasks. The library offers
classes for Particle-Particle Particle-Mesh Ewald (P3M), Particle Mesh Ewald (``PME``),
Expand All @@ -22,10 +22,16 @@ Optimized for both CPU and GPU devices, ``torch-pme`` is fully `TorchScriptable`
allowing it to be converted into a format that runs independently of Python, such as in
C++, making it ideal for high-performance production environments.

We also provide an experimental implementation for *JAX* in `jax-pme`_.

.. _`TorchScriptable`: https://pytorch.org/docs/stable/jit.html
.. _`jax-pme`: https://github.com/lab-cosmo/jax-pme

.. marker-documentation
Documentation
-------------

For details, tutorials, and examples, please have a look at our `documentation`_.

.. _`documentation`: https://lab-cosmo.github.io/torch-pme
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Having problems or ideas?
-------------------------

Having a problem with torch-pme? Please let us know by `submitting an issue
Having a problem with *torch-pme*? Please let us know by `submitting an issue
<https://github.com/lab-cosmo/torch-pme/issues>`_.

Submit new features or bug fixes through a `pull request
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Contributors
------------

Thanks goes to all people that make torch-pme possible:
Thanks goes to all people that make *torch-pme* possible:

.. image:: https://contrib.rocks/image?repo=lab-cosmo/torch-pme
:target: https://github.com/lab-cosmo/torch-pme/graphs/contributors
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