Nathan Frey's Projects
atomate is a powerful software for computational materials science and contains pre-built workflows.
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
PennApps2019 Hack
DeepSpeed is a deep learning optimization library that makes distributed training easy, efficient, and effective.
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).
The open-source repo for docs.github.com
Basecamp Employee Handbook
Interactive Widgets for the Jupyter Notebook
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
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
A miniaturized version of the Materials Project Workshop Curriculum
Data mining for materials science
Moleculenet.ai Datasets And Splits
Profile README
Personal website for Nathan C. Frey.
Positive and unlabeled learning wrappers for scikit-learn
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.
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.
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
A Highly Opinionated List of Open Source Materials Informatics Resources
Database, dimensionality reduction, and visualization dashboard for RHEED data
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
shared information about software and publications for the shenoy group
Eigenmode expansion solver of multilayer slab waveguide w/ single frequency incident light and dielectric perturbation.
Official repository for Citation Style Language (CSL) citation styles.