Awesome resources on normalizing flows.

Awesome examples of SvelteKit in the wild

Diagrams of concepts in physics/chemistry/ML

Keyboard-friendly, accessible and highly customizable multi-select component

Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.

A toolkit for visualizations in materials informatics.

An evaluation framework for machine learning models simulating high-throughput materials discovery.

Svelte masonry component with SSR support and column balancing

Sticky responsive table of contents component

My blog.

Reduce multiple PyTorch TensorBoard runs to new event (or CSV) files.

CLI + Python API for batch compressing PDFs

Multiplicative Normalizing Flows in PyTorch.

Phonons from ML force fields

Data-driven risk-conscious thermoelectric materials discovery

Pushing the Pareto front of band gap and permittivity with ML-guided dielectric materials discovery incl. experimental synthesis and characterization.

Exercise solutions for Prof. Springel's lecture "Fundamentals of Simulation Methods" (fall 2015, Heidelberg University)

Multiplicative normalizing flow: variational Bayesian neural networks with increased posterior flexibility thanks to normalizing flows

Repo for version tracking and collaborating on the pymatgen 2 paper

Ain't no place like ~

PhD Thesis: Towards Machine Learning Foundation Models for Materials Chemistry

Code formatter for iPython cells