From 98100c7aca81a11aee2130b0034e94885695022e Mon Sep 17 00:00:00 2001 From: Peter Eastman Date: Sun, 20 Nov 2022 16:00:46 -0800 Subject: [PATCH] Updated DOI for 1.1.2 (#57) --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index e466d0c..e2c390c 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.7258940.svg)](https://doi.org/10.5281/zenodo.7258940) +[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.7338495.svg)](https://doi.org/10.5281/zenodo.7338495) 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