Dataset for CH GAP interatomic potential

<p>This is a dataset used to train general-purpose CH GAP interatomic potential [1].</p> <p>The database contains the following entries:</p> <ul> <li>Dimers of carbon and hydrogen</li> <li>Trimers</li> <li>"Soup" structures generated during iterative training</li> <li>QM9[6] molecules augmented to C and H containing molecules only</li> <li>Interactive molecules generated using active learning</li> <li>a-C dataset from [2]</li> <li>Bulk and surface carbon structures</li> <li>CH structures geneated using high pressure&nbsp;</li> </ul>