#

cluster-optimization

Here is 1 public repository matching this topic...

megamsndm / ATLAS-GP

GP-guided cluster structure optimizer for all 103 elements — basin-hopping, parallel tempering, MACE-MP-0 ML potential, full GUI

machine-learning cpp computational-chemistry molecular-simulation mace gaussian-process basin-hopping cluster-optimization

Updated Mar 12, 2026
C++

Improve this page

Add a description, image, and links to the cluster-optimization topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the cluster-optimization topic, visit your repo's landing page and select "manage topics."