Name: Kelvin Lee
Type: User
Company: Intel Corporation
Bio: HPC AI/ML engineer at Intel AXG. Previously postdoc at MIT, CfA/SAO. Interests in astrochemistry and physical chemistry.
Twitter: cmmmsubmm
Location: Hillsboro, OR
Blog: https://laserkelvin.github.io
Kelvin Lee's Projects
Slide deck for ISMS 2022
Answering random questions with data and Julia
Spectroscopy database
READ#ME#
A repository of notebooks for teaching neural networks
Deep learning framework to train, deploy, and ship AI products Lightning fast.
Command line script to convert lin files to LaTeX tables
Rapid experimentation and scaling of deep learning models on molecular and crystal graphs.
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
Open MatSci ML Toolkit is a single framework for prototyping and scaling out deep learning models for materials discovery, built on top of OpenCatalyst, PyTorch Lightning, and the Deep Graph Library.
Visiting weekend poster deck for McGuire lab
A Zettelkasten for machine learning literature
Please do not feed the models
Mol2vec - an unsupervised machine learning approach to learn vector representations of molecular substructures
Some routines that I wrote because I couldn't get PyBel and OpenBabel linked with anaconda python properly.
A quick Python script for searching a DataFrame for rotational constants.
File structure for reproducible molsim MCMC
Keeping dotfiles for neovim consistent across platforms
Materials for the Not ISMS 2020
A short interactive review for normalizing flows
A library simplifying the collection and interpretation of P3 data.
A pandoc template for making quick and easy conference abstract books
A version controlled repository for SPFIT/SPCAT
Python scripts to automate and manage calculations with CFOUR
A Python wrapper for te spectroscopy program PGopher
Python library for calculating molecular rotational constants from standard input formats