ncfrey
Principal Machine Learning Scientist & Group Leader @prescient-design • @Genentech. Previously postdoc MIT, PhD at UPenn, and scientist at Berkeley Lab
Prescient Design • GenentechManhattan, NY
Pinned Repositories
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
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).
litmatter
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
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
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.
pytopomat
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
resources
A Highly Opinionated List of Open Source Materials Informatics Resources
rheed-viz
Database, dimensionality reduction, and visualization dashboard for RHEED data
lobster
Lbster: Language models for Biological Sequence Transformation and Evolutionary Representation
walk-jump
Official repository for discrete Walk-Jump Sampling (dWJS)
ncfrey's Repositories
ncfrey/resources
A Highly Opinionated List of Open Source Materials Informatics Resources
ncfrey/litmatter
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
ncfrey/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.
ncfrey/pytopomat
Python Topological Materials (pytopomat) is a code for easy, high-throughput analysis of topological materials.
ncfrey/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
ncfrey/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).
ncfrey/rheed-viz
Database, dimensionality reduction, and visualization dashboard for RHEED data
ncfrey/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
ncfrey/ncfrey.github.io
Personal website for Nathan C. Frey.
ncfrey/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.
ncfrey/slab-waveguide-eme
Eigenmode expansion solver of multilayer slab waveguide w/ single frequency incident light and dielectric perturbation.
ncfrey/DeepODIN
PennApps2019 Hack
ncfrey/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
ncfrey/DeepSpeed
DeepSpeed is a deep learning optimization library that makes distributed training easy, efficient, and effective.
ncfrey/docs
The open-source repo for docs.github.com
ncfrey/handbook
Basecamp Employee Handbook
ncfrey/ipywidgets
Interactive Widgets for the Jupyter Notebook
ncfrey/mammp-workshop
A miniaturized version of the Materials Project Workshop Curriculum
ncfrey/matminer
Data mining for materials science
ncfrey/moleculenet
Moleculenet.ai Datasets And Splits
ncfrey/ncfrey
Profile README
ncfrey/pu-learning
Positive and unlabeled learning wrappers for scikit-learn
ncfrey/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
ncfrey/shenoy_group_resources
shared information about software and publications for the shenoy group
ncfrey/styles
Official repository for Citation Style Language (CSL) citation styles.