From 92af8753328ef57bc3cfc0f2663e12fe99706152 Mon Sep 17 00:00:00 2001 From: Han Yang Date: Fri, 6 Dec 2024 09:38:11 +0800 Subject: [PATCH] mention AQE in docs (#58) --- README.md | 15 +++++++++++++++ docs/index.rst | 4 ++++ 2 files changed, 19 insertions(+) diff --git a/README.md b/README.md index 5c172c4..f4bb45b 100644 --- a/README.md +++ b/README.md @@ -73,6 +73,21 @@ uv pip install -e . python setup.py build_ext --inplace ``` +## Pre-trained Models + +We currently offer two pre-trained **MatterSim-v1** models based on the **M3GNet** architecture in the [pretrained_models](./pretrained_models/) folder: + +1. **MatterSim-v1.0.0-1M**: A mini version of the model that is faster to run. +2. **MatterSim-v1.0.0-5M**: A larger version of the model that is more accurate. + +These models have been trained using the data generated through the workflows +introduced in the [MatterSim manuscript](https://arxiv.org/abs/2405.04967), which provides an in-depth +explanation of the methodologies underlying the MatterSim model. + +More advanced and fully-supported pretrained versions of MatterSim, +and additional materials capabilities are available in +**[Azure Quantum Elements](https://quantum.microsoft.com/en-us/solutions/azure-quantum-elements)**. + ## Usage > [!TIP] diff --git a/docs/index.rst b/docs/index.rst index e46794e..8ec9b84 100644 --- a/docs/index.rst +++ b/docs/index.rst @@ -30,6 +30,10 @@ These models have been trained using the data generated through the workflows introduced in the `MatterSim `_ manuscript, which provides an in-depth explanation of the methodologies underlying the MatterSim model. +More advanced and fully-supported pretrained versions of MatterSim, +and additional materials capabilities are available in +`Azure Quantum Elements `_. + Bibliography ------------