From 44b6da4a5edaa4c3ef867a11728555403d1d475d Mon Sep 17 00:00:00 2001 From: Ilyes Batatia <48651863+ilyes319@users.noreply.github.com> Date: Thu, 23 Feb 2023 20:36:43 +0100 Subject: [PATCH] Update README.md --- README.md | 28 +++++++++++++++++++++++++--- 1 file changed, 25 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index 9b3465a5..49a3a156 100644 --- a/README.md +++ b/README.md @@ -1,9 +1,27 @@ -# MACE +MACE +======== [![GitHub release](https://img.shields.io/github/release/ACEsuit/mace.svg)](https://GitHub.com/ACEsuit/mace/releases/) +[![Paper](https://img.shields.io/badge/Paper-NeurIPs2022-blue)](https://openreview.net/forum?id=YPpSngE-ZU) [![License](https://img.shields.io/badge/License-MIT%202.0-blue.svg)](https://opensource.org/licenses/mit) [![GitHub issues](https://img.shields.io/github/issues/ACEsuit/mace.svg)](https://GitHub.com/ACEsuit/mace/issues/) - - +[![Documentation Status](https://readthedocs.org/projects/mace/badge/)](https://mace-docs.readthedocs.io/en/latest/) + +# Table of contents +- [About MACE](#about-mace) +- [Documentation](#documentation) +- [Installation](#installation) +- [Usage](#usage) + - [Training](#training) + - [Evaluation](#evaluation) +- [Tutorial](#tutorial) +- [Weights and Biases](#weights-and-biases-for-experiment-tracking) +- [Development](#development) +- [References](#references) +- [Contact](#contact) +- [License](#license) + + +## About MACE MACE provides fast and accurate machine learning interatomic potentials with higher order equivariant message passing. This repository contains the MACE reference implementation developed by @@ -13,6 +31,10 @@ Also available: * [MACE in JAX](https://github.com/ACEsuit/mace-jax), currently about 2x times faster at evaluation, but training is recommended in Pytorch for optimal performances. * [MACE layers](https://github.com/ACEsuit/mace-layer) for constructing higher order equivariant graph neural networks for arbitrary 3D point clouds. +## Documentation + +A partial documentation is available at: https://mace-docs.readthedocs.io/en/latest/ + ## Installation Requirements: