ncfrey

Nathan Frey's repositories

resources

A Highly Opinionated List of Open Source Materials Informatics Resources

litmatter

Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.

Language:Jupyter NotebookMIT65 2 2

pumml

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.

Language:PythonMIT34 5 3

pytopomat

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

Language:PythonMIT26 5 7

magnetic-topological-materials

Supplementary material for N. C. Frey, M. K. Horton, J. M. Munro, S. M. Griffin, K. A. Persson, and V. B. Shenoy, Science Advances 09 Dec 2020: Vol. 6, no. 50, eabd1076 DOI: 10.1126/sciadv.abd1076

Language:Jupyter NotebookMIT8 3 1

Supplementary material accompanying Frey, N. C.; Akinwande, D.; Jariwala, D.; Shenoy, V. B. Machine Learning-Enabled Design of Point Defects in 2D Materials for Quantum and Neuromorphic Information Processing, ACS Nano (2020).

Language:Jupyter NotebookMIT2 20

rheed-viz

Database, dimensionality reduction, and visualization dashboard for RHEED data

Language:Jupyter Notebook2 1 14

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Language:PythonMIT1 10

ncfrey.github.io

Personal website for Nathan C. Frey.

Language:JavaScriptMIT1 10

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.

Language:PythonMIT1 10