From b99b3f4d85585df6bdfeca5a56420c57ec6385f1 Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Mon, 15 Apr 2024 13:14:31 -0700 Subject: [PATCH] Updated README with doi for 2.0.1 (#102) --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index d92c9c1..c73d945 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ This repository contains scripts and data files used in the creation of the SPICE dataset. It does not contain the dataset itself. That is available from Zenodo: -[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10835749.svg)](https://doi.org/10.5281/zenodo.10835749) +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.10975225.svg)](https://doi.org/10.5281/zenodo.10975225) SPICE (Small-Molecule/Protein Interaction Chemical Energies) is a collection of quantum mechanical data for training potential functions. The emphasis is particularly on simulating drug-like small molecules interacting