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Hi there, I'm Nathan 👋

I'm a Machine Learning Scientist and Group Leader at Prescient DesignGenentech, where I develop and apply ML methods for molecular discovery and design. Previously, I was a Postdoc at MIT with the Lincoln Lab Supercomputing and AI groups, working with Profs Gomez-Bombarelli and Coley on ML for materials and molecule design. I have a PhD in Materials Science & Engineering from the University of Pennsylvania. I was a National Defense Science & Engineering Graduate Fellow in the Shenoy Group and an affiliate scientist at Berkeley Lab with the Materials Project.

Nathan Frey's Projects

atomate icon atomate

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

deepchem icon deepchem

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

deepspeed icon deepspeed

DeepSpeed is a deep learning optimization library that makes distributed training easy, efficient, and effective.

defect-design icon defect-design

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).

docs icon docs

The open-source repo for docs.github.com

litmatter icon litmatter

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

magnetic-topological-materials icon 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

mammp-workshop icon mammp-workshop

A miniaturized version of the Materials Project Workshop Curriculum

pu-learning icon pu-learning

Positive and unlabeled learning wrappers for scikit-learn

pumml icon 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.

pymatgen icon 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.

pytopomat icon pytopomat

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

resources icon resources

A Highly Opinionated List of Open Source Materials Informatics Resources

rheed-viz icon rheed-viz

Database, dimensionality reduction, and visualization dashboard for RHEED data

selfies icon selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

slab-waveguide-eme icon slab-waveguide-eme

Eigenmode expansion solver of multilayer slab waveguide w/ single frequency incident light and dielectric perturbation.

styles icon styles

Official repository for Citation Style Language (CSL) citation styles.

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