Skip to content

Commit

Permalink
Updated README with doi for 2.0.1 (#102)
Browse files Browse the repository at this point in the history
  • Loading branch information
peastman authored Apr 15, 2024
1 parent 70fa0f5 commit b99b3f4
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down

0 comments on commit b99b3f4

Please sign in to comment.