From fd39f78ad0957f5840d20e4580d7c48992bc0b2d Mon Sep 17 00:00:00 2001 From: Philip Loche Date: Thu, 19 Dec 2024 15:16:15 +0100 Subject: [PATCH] Update README (#132) --- README.rst | 16 +++++++++++----- 1 file changed, 11 insertions(+), 5 deletions(-) diff --git a/README.rst b/README.rst index f19426f6..bf8e11d2 100644 --- a/README.rst +++ b/README.rst @@ -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 + :align: left |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``), @@ -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 @@ -113,7 +119,7 @@ For more examples and details, please refer to the `documentation`_. 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 `_. Submit new features or bug fixes through a `pull request @@ -150,7 +156,7 @@ If you use *torch-pme* for your work, please read and cite our preprint availabl 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