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...

102 Commits
1 Branch
0 Tags

README
Creative Commons Attribution 4.0 International

Created on

December 23, 2022

Copy SSH clone URLgit@gitlab.mpcdf.mpg.de:klai/decaf.git
Copy HTTPS clone URLhttps://gitlab.mpcdf.mpg.de/klai/decaf.git