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1. SQS_generation SQS_generation Public

   This tutorial explains how to use ATAT to generate SQS for disordered alloys. It covers basic steps of creating a unit cell, generating cluster information, generating structure and then converting…

   21 1

2. GSFE_under_pressure GSFE_under_pressure Public

   Python 3

3. Physics-Informed-Representation-Learning-on-Electronic-Charge-Density-for-Properties-Prediction Physics-Informed-Representation-Learning-on-Electronic-Charge-Density-for-Properties-Prediction Public

   Jupyter Notebook 1

4. LatentMatFusion LatentMatFusion Public

   Python

5. rhoprint rhoprint Public

   Physically interpretable descriptors ("fingerprints") extracted from VASP charge-density (CHGCAR) files, for materials-informatics and ML interpretability studies.

   Python