/MolRepo

A collection of Cartesian coordinates and binding energies of molecular clusters

Primary LanguageJavaScriptGNU General Public License v3.0GPL-3.0

MolRepo

MolRepo is a repository of of Cartesian coordinates and binding energies of molecular clusters that anyone should be able to contribute to. It was designed and built by Patrick Musau, Berhane Temelso and George Shields.

It was inspired by the likes of

This repo is implemented at http://molecularclusters.xyz. While it currently only contains data from our own publications, others are encouraged to contribute to it.

We also intend to share the framework to others so that they can implement it in their environments.