Python Materials Genomics (pymatgen) is a robust materials analysis code...
Curated list of known efforts in materials informatics = modern material...
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
A list of databases, datasets and books/handbooks where you can find mat...
Graph deep learning library for materials
Things that you should (and should not) do in your Materials Informatics...
ChemML is a machine learning and informatics program suite for the chemi...
Data Analysis program and framework for materials science data analytics...
Fork this repo for a quick start. If "Project Timeline" or "License" app...
A toolkit for visualizations in materials informatics.
RadonPy is a Python library to automate physical property calculations f...
A Highly Opinionated List of Open Source Materials Informatics Resources
Open-source library for analyzing the results produced by ABINIT
A machine learning environment for atomic-scale modeling in surface scie...
Catalyst Micro-kinetic Analysis Package for automated creation of micro-...