Projects
A few personal projects I've been working on in my free time.
The DFT Course
A gentle introduction to computational chemistry and density functional theory designed for advanced undergraduates and beginning graduate student. Provides a walkthrough for setting up calculations with step-by-step examples and exercises.
MoFlowGAN
A tandem normalizing flow model that non-autoregressively builds molecular graphs. A hybrid training objective trades off likelihood maximization with adversarial and reward policy objectives to bias the generator towards drug-like molecules.
Generative Adverserial Networks Demo
Come with us as we train some netwokrs to generate pictures of cats exploring the effects of different GAN variants. We also provide an example of what happens when you try to train a GAN without enough data!
The Memory Palace
A place for me to organize my thoughts. Online resources and interesting papers about chemistry, data science, programming, math, etc...