Installing XANESNET

Download

XANESNET can be downloaded from either GitLab or GitHub repository:

git clone https://gitlab.com/team-xnet/xanesnet.git

or

git clone https://github.com/NewcastleRSE/xray-spectroscopy-ml.git

The repository contains all source files, along with example input files and datasets.

Complete training sets for X-ray absorption and emission of molecules containing first row transition metals can be obtained using:

git clone https://gitlab.com/team-xnet/training-sets.git

Installation

The code has been designed to support python 3.10 and above. Dependencies and version requirements can be installed using:

python -m pip install .