Qi-max

amlearn

Machine Learning Package Targeted for Amorphous Materials.

gnn-for-glass

DiPGNN

automatminer

An automatic engine for predicting materials properties.

atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

DIM

Deep InfoMax (DIM), or "Learning Deep Representations by Mutual Information Estimation and Maximization"

imbalanced-learn

Python module to perform under sampling and over sampling with various techniques.

lammps

Public development project of the LAMMPS MD software package

matminer

data mining for Materials Science

matminer_examples

A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code

Moltherm

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.