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Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effortless extensibility, (2) optimizations for ordered, …

Python 19 3 Updated Nov 15, 2024

[playing around for now] One stop solution for getting material properties with ML models while contributing to a community database.

Python 4 1 Updated Jan 7, 2025

MPDD Calculator for Atomistic Line Graph Neural Network Deployment

Python 4 1 Updated Oct 25, 2024

VS Code Language Extension provides syntax highlighting for the Thermodynamic DataBase (TDB) files used in the CALPHAD community to describe thermodynamic models of properties of materials.

9 Updated Sep 27, 2024

Two guest lectures for MatSE580 at PSU to cover basics of (1) materials data manipulation, (2) storage, and (3) running ML methods on them.

Jupyter Notebook 7 4 Updated Feb 23, 2024