From 85e0531ffc953cc41313ca7a0412e6b6cc1ab118 Mon Sep 17 00:00:00 2001 From: Jonathan Vandermause Date: Sun, 15 Sep 2024 15:56:38 -0400 Subject: [PATCH] Update README.md --- README.md | 10 +--------- 1 file changed, 1 insertion(+), 9 deletions(-) diff --git a/README.md b/README.md index 9fa687473..4b53ba99b 100644 --- a/README.md +++ b/README.md @@ -16,21 +16,13 @@ FLARE is an open-source Python package for creating fast and accurate interatomi

-Note: - -We implement Sparse GP, all the kernels and descriptors in C++ with Python interface. - -We implement Full GP, Mapped GP, RBCM, Squared Exponential kernel and 2+3-body descriptors in Python. - -Please do NOT mix them. - ## Documentations and Tutorials Documentation of the code can be accessed here: https://mir-group.github.io/flare [Applications using FLARE and gallery](https://mir-group.github.io/flare/related.html) -### Google Colab Tutorials +### Tutorials [FLARE (ACE descriptors + sparse GP)](https://github.com/mir-group/flare/blob/notebooks/tutorials/sparse_gp_tutorial.ipynb) This tutorial shows how to run flare with a sparse Gaussian process model trained on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field.