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

Mar 17, 2021

Modeling Protein-Ligand Interactions with Atomic Convolutional Neural Networks

Mar 17, 2021

Nathan C. Frey, PhD
in
Towards Data Science

FastFlows: Flow-Based Models for Molecular Graph Generation

Deep learning invertible transformations for efficient generative modeling

Feb 14, 2022

FastFlows: Flow-Based Models for Molecular Graph Generation

Feb 14, 2022

Nathan C. Frey, PhD
in
Towards Data Science

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

May 17, 2021

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

May 17, 2021

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

Apr 15, 2021

How and why to share scientific code

Apr 15, 2021

Nathan C. Frey, PhD

What is Materials Science?

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

Feb 15, 2021

What is Materials Science?

Feb 15, 2021

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).

Jan 20, 2021

Getting Started in Materials Informatics

Jan 20, 2021

Nathan C. Frey, PhD

Quantum MOMs

Searching for materials with multiple quantum properties

Dec 14, 2020

Quantum MOMs

Dec 14, 2020

Nathan C. Frey, PhD
in
Towards Data Science

Positive and Unlabeled Materials Machine Learning

How semi-supervised learning is used to accelerate materials synthesis

Nov 18, 2020

Positive and Unlabeled Materials Machine Learning

Nov 18, 2020

Nathan C. Frey, PhD

Quantum and brain-like technologies with “defective” materials

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

Sep 18, 2020

Quantum and brain-like technologies with “defective” materials

Sep 18, 2020

Nathan C. Frey, PhD

Review: Something Deeply Hidden

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

Sep 2, 2020

Review: Something Deeply Hidden

Sep 2, 2020

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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