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laserkelvin/README.md

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

Pinned Loading

  1. PySpecTools PySpecTools Public

    Routines for rotational spectroscopy analysis written in Python 3

    Python 31 5

  2. rotconML rotconML Public

    Probabilistic deep learning models for molecule identification using PyTorch

    Python 3

  3. IntelLabs/matsciml IntelLabs/matsciml Public

    Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lig…

    Python 153 25

  4. IntelLabs/EquiTriton IntelLabs/EquiTriton Public

    EquiTriton is a project that seeks to implement high-performance kernels for commonly used building blocks in equivariant neural networks, enabling compute efficient training and inference.

    Python 40 4