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ncfrey/README.md

Hi there, I'm Nathan 👋

I'm a Postdoc at MIT with the Lincoln Lab Supercomputing and AI groups. I have a PhD in Materials Science & Engineering from the University of Pennsylvania. Previously, I was a National Defense Science & Engineering Graduate Fellow in the Shenoy Group at the UPenn and an affiliate scientist at Berkeley Lab with the Materials Project.

  • 🔭 I’m working on democratizing deep learning for the life sciences with DeepChem
  • 🌱 I’m learning AWS, JAX, and 한국어 (Korean)
  • ⚙️ I use python, tensorflow, pytorch, sklearn, pandas, plotly, and bash
  • 👯 I’m looking to collaborate on machine learning for physics, chemistry, biology, and materials science
  • 💬 Ask me about machine learning in applied science and engineering
  • 📫 How to reach me: Twitter | LinkedIn | Email

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  1. pumml Public

    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 23 9

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

    Python 17 8

  3. pymatgen Public

    Forked from materialsproject/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 i…

    Python 1

  4. deepchem Public

    Forked from deepchem/deepchem

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

    Python

  5. A Highly Opinionated List of Open Source Materials Informatics Resources

    31 6

  6. 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

    Jupyter Notebook 6 2

199 contributions in the last year

Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Mon Wed Fri
Activity overview
Contributed to deepchem/deepchem, ncfrey/rheed-viz, deepchem/moleculenet and 5 other repositories
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Contribution activity

November 2021

Created 1 commit in 1 repository
Created 1 repository
Opened 1 pull request in 1 repository
microsoft/DeepSpeed 1 merged

Created an issue in deepchem/deepchem that received 3 comments

configuring pre-commit

🚀 Feature Setting up pre-commit for DeepChem developers. Motivation New DeepChem devs often run into formatting issues (mypy, yapf, flake8, etc.). p…

3 comments
Opened 1 other issue in 1 repository
deepchem/deepchem 1 open
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