materials-informatics topic

Positive and Unlabeled Materials Machine Learning (pumml) is a code that uses semi-supervised machine learning to classify materials from only positive and unlabeled examples.

ncfrey

Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.

ncfrey

A Highly Opinionated List of Open Source Materials Informatics Resources

ncfrey

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ

usnistgov

Deep learning for molecules and materials book

whitead

Curated list of known efforts in materials informatics = modern materials science

tilde-lab

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

hachmannlab

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Pro...

materialsproject

Fork this repo for a quick start. If "Project Timeline" or "License" appeared on your nav bar, Look Below!

projectpages

Data Analysis program and framework for materials science data analytics, based on the managing framework SIMPL framework.

BlueQuartzSoftware