From 63fc8ad60d292a1b9b6b799c8945f0f4ef9589bf Mon Sep 17 00:00:00 2001 From: Jonathan Vandermause Date: Sun, 15 Sep 2024 15:13:17 -0400 Subject: [PATCH] Update README.md --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index fb849ff13..9fa687473 100644 --- a/README.md +++ b/README.md @@ -32,8 +32,8 @@ Documentation of the code can be accessed here: https://mir-group.github.io/flar ### Google Colab Tutorials -[FLARE (ACE descriptors + sparse GP)](https://colab.research.google.com/drive/1QcHf5FVU_juZOvQ49FliJVzhon8MJ6PO) -The tutorial shows how to run flare with ACE and SGP on energy and force data, demoing "offline" training on the MD17 dataset and "online" on-the-fly training of a simple aluminum force field. +[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. [FLARE (LAMMPS active learning)](https://bit.ly/flarelmpotf) This tutorial demonstrates new functionality for running active learning all within LAMMPS, with LAMMPS running the dynamics to allow arbitrarily complex molecular dynamics workflows while maintaining a simple interface. This also demonstrates how to use the C++ API directly from Python through `pybind11`. Finally, there's a simple demonstration of phonon calculations with FLARE using `phonopy`.