Descriptor Embedding and Clustering for Atomisitic-environment Framework

Project information

An implementation of the presented framework in an article in J. Chem. Phys. 2023 (accepted DOI: 10.1063/5.0160369), Manuscript title: A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules.

Python Local Atomic... Atomistic Ma...

143 Commits
2 Branches
0 Tags

README
Creative Commons Attribution 4.0 International
GitLab Pages

Created on

December 23, 2022

Loading