Nathan C. Frey, PhD – Medium

Nathan C. Frey, PhD

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Nathan C. Frey, PhD
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Towards Data Science

Modeling Protein-Ligand Interactions with Atomic Convolutional Neural Networks

Exploit local structure of three-dimensional molecular complexes to predict binding affinities

6 min readMar 17, 2021

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Modeling Protein-Ligand Interactions with Atomic Convolutional Neural Networks

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Nathan C. Frey, PhD
in
Towards Data Science

FastFlows: Flow-Based Models for Molecular Graph Generation

Deep learning invertible transformations for efficient generative modeling

8 min readFeb 14, 2022

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FastFlows: Flow-Based Models for Molecular Graph Generation

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Nathan C. Frey, PhD
in
Towards Data Science

MoleculeNet Part 1: Datasets for Deep Learning in the Chemical and Life Sciences

5 min readMay 17, 2021

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MoleculeNet Part 1: Datasets for Deep Learning in the Chemical and Life Sciences

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Nathan C. Frey, PhD
in
Towards Data Science

How and why to share scientific code

A simple guide to reproducible research without becoming a software engineer

6 min readApr 15, 2021

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How and why to share scientific code

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Nathan C. Frey, PhD

What is Materials Science?

Why materials science is a mystery to most people and why it’s important

4 min readFeb 15, 2021

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What is Materials Science?

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Nathan C. Frey, PhD
in
Towards Data Science

Getting Started in Materials Informatics

How to get started doing research in materials informatics (data science + materials science).

6 min readJan 20, 2021

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Getting Started in Materials Informatics

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Nathan C. Frey, PhD

Quantum MOMs

Searching for materials with multiple quantum properties

5 min readDec 14, 2020

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Quantum MOMs

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Nathan C. Frey, PhD
in
Towards Data Science

Positive and Unlabeled Materials Machine Learning

How semi-supervised learning is used to accelerate materials synthesis

8 min readNov 18, 2020

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Positive and Unlabeled Materials Machine Learning

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Nathan C. Frey, PhD

Quantum and brain-like technologies with “defective” materials

Machine learning and physics-based simulations to design materials with defects

5 min readSep 18, 2020

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Quantum and brain-like technologies with “defective” materials

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Nathan C. Frey, PhD

Review: Something Deeply Hidden

Something Deeply Hidden by Sean Carroll is really good and you should buy it.

4 min readSep 2, 2020

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Review: Something Deeply Hidden

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Nathan C. Frey, PhD

Nathan C. Frey, PhD

Senior ML Scientist & Group Leader @PrescientDesign • @Genentech | Co-founder @AtomicDataSciences | Prev Postdoc @MIT, NDSEG Fellow @UPenn, @Berkeley Lab

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