Seaton Ullberg's repositories
kernel-density-estimation
Kernel density estimation in Rust.
chemfiles-cli
A simple chemistry file conversion CLI which wraps the chemfiles library
lammps-projects
Scripts to run and analyze my LAMMPS calculations.
lammps-trajectory-explorer
Bokeh dashboard to visualize LAMMPS trajectory files
moltemplate-data
LT template files I use to run LAMMPS simulations with moltemplate
calg
A library of common data structures and algorithms written in C.
chemfiles
Library for reading and writing chemistry files
Flask-Finder
Python based webapp to search inventory of a laboratory
GASP-python
Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
geo
Geospatial primitives and algorithms for Rust
libatompack
A pure C library for atomic structure generation.
materials-embedding-book
An interactive guide to using hidden layer embeddings as descriptors of materials
matscipy
Materials science with Python at the atomic-scale
mobo
A rational and extensible algorithm for solving multi-objective optimization problems
moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
PyPPA
Python Powered Personal Assistant
retworkx
A python graph library implemented in Rust.
seatonullberg.github.io
My personal website
spglib
C library for finding and handling crystal symmetries
tensor-view
A cross-platform GUI for visualizing anisotropy in 2nd rank tensor properties
tests-data
Test files for chemfiles