From bb2295b0e8428a0d367071fbed6d9dc7495abe86 Mon Sep 17 00:00:00 2001 From: Ilyes Batatia <48651863+ilyes319@users.noreply.github.com> Date: Wed, 11 Oct 2023 16:11:02 +0100 Subject: [PATCH] fix table of content readme --- README.md | 11 +++++++---- 1 file changed, 7 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 52014e2f..bb0ba419 100644 --- a/README.md +++ b/README.md @@ -17,6 +17,7 @@ - [Tutorial](#tutorial) - [Weights and Biases](#weights-and-biases-for-experiment-tracking) - [Development](#development) +- [Pretrained models](#pretrained-universal-mace-checkpoints) - [References](#references) - [Contact](#contact) - [License](#license) @@ -168,6 +169,12 @@ before you commit (and push) to avoid accidentally committing bad code. We are happy to accept pull requests under an [MIT license](https://choosealicense.com/licenses/mit/). Please copy/paste the license text as a comment into your pull request. +## Pretrained Universal MACE Checkpoints + +### Materials Project + +We have collaborated with the Materials Project (MP) who trained universal MACE checkpoints covering 89 elements on 1.6 M bulk crystals in the [MPTrj dataset](https://figshare.com/articles/dataset/23713842) selected from MP relaxation trajectories. These pretrained models were used for materials stability prediction in [Matbench Discovery](https://matbench-discovery.materialsproject.org) and the corresponding [preprint](https://arxiv.org/abs/2308.14920). For easy reuse, these checkpoints were published on [Hugging Face](https://huggingface.co/cyrusyc/mace-universal). + ## References If you use this code, please cite our papers: @@ -194,10 +201,6 @@ If you use this code, please cite our papers: } ``` -## Pretrained Universal MACE Checkpoints -### Materials Project -We have collaborated with the Materials Project (MP) who trained universal MACE checkpoints covering 89 elements on 1.6 M bulk crystals in the [MPTrj dataset](https://figshare.com/articles/dataset/23713842) selected from MP relaxation trajectories. These pretrained models were used for materials stability prediction in [Matbench Discovery](https://matbench-discovery.materialsproject.org) and the corresponding [preprint](https://arxiv.org/abs/2308.14920). For easy reuse, these checkpoints were published on [Hugging Face](https://huggingface.co/cyrusyc/mace-universal). - ## Contact If you have any questions, please contact us at ilyes.batatia@ens-paris-saclay.fr.