Metadata-Version: 2.1
Name: milad
Version: 0.2.2
Summary: Moment Invariants Local Atomic Descriptor
Home-page: https://github.com/muhrin/milad.git
Author: Martin Uhrin
Author-email: martin.uhrin.10@ucl.ac.uk
License: GPLv3
Keywords: machine learning,atomic descriptor,moment invariants
Platform: UNKNOWN
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
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Moment Invariants Local Atomic Descriptor
=========================================

.. image:: docs/source/img/encode_decode.png
   :alt: The rotationally invariant encoding and decoding of a molecule


This repository contains code for creating rotation invariant descriptions of atomic environments.
The resulting fingerprint vectors can be decoded back into the original atomic system allowing one to build generative models of atomic environments in materials or entire molecules.

Code examples will be coming soon!

Contact martin [at] digitalbaker.net for more details.

MILAD is FOSS, under the GPLv3 license.


