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Kelvin Lee

“If you wish to make apple pie from scratch, you must first create the universe”

--Carl Sagan

whoami

  • High performance computing AI/ML researcher/engineer at Intel AXG
  • Former senior postdoc @ MIT Chemistry
  • Former postdoc @ Center for Astrophysics—Harvard & Smithsonian
  • 🇦🇺 Australian, identifies as Kiwi 🇳🇿, born in Hong Kong 🇭🇰, living in Boston, US 🇺🇸
  • PhD in Physical Chemistry @ UNSW Sydney: photodissociation dynamics and spectroscopy of atmospheric molecules

Interests

  • Quantifying uncertainty in quantitative sciences (thinking Bayes) ❓
  • Reproducibility in (data) science 💾
  • Automated workflows and data pipelines 🤖
  • Problem solving with classical machine learning and deep learning 🖥
  • Key to my heart is a beautiful and informative visualization 📊 (Butterick & Tufte 💗)
  • Molecular reaction dynamics and spectroscopy afficionado ⚛

Highlights

Kelvin's Github stats

My SciPy2020 talk on Pythonic and Deep Learning Workflows in Spectroscopy

Worked on a project to have a chance to make the plot above

Kelvin Lee's Projects

arxiv-curie icon arxiv-curie

Automated, machine-learning driven scientific paper summarizer written in Python

astroquery icon astroquery

Functions and classes to access online data resources. Maintainers: @keflavich and @bsipocz

ccdproc icon ccdproc

Astropy affiliated package for reducing optical/IR CCD data

cfour-viewer icon cfour-viewer

A set of Python routines for the electronic structure suite CFOUR

code-base-investigator icon code-base-investigator

Code Base Investigator is a python tool to help examine the platform divergence of a code base.

cookiecutter-data-science icon cookiecutter-data-science

A logical, reasonably standardized, but flexible project structure for doing and sharing data science work.

dask-ml icon dask-ml

Scalable Machine Learning with Dask

exmol icon exmol

Explainer for black box models that predict molecule properties

fastroutines icon fastroutines

When certain routines are better written in Cython for faster processing.

g16-isomers icon g16-isomers

Simple cookiecutter template for automating a batch of Gaussian '16 calculations

hpc icon hpc

Reference implementations of MLPerf™ HPC training benchmarks

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