seatonullberg

PhD in Materials Science and Engineering at the University of Florida

Gainesville, FL

Pinned Repositories

vasp-scripts
Scripts to automate common operations with the Vienna Ab-initio Simulation Package.
Language:Python4 1 01
chemfiles-cli
A simple chemistry file conversion CLI which wraps the chemfiles library
Language:C1 1 00
cmstk
Computational Materials Science Tool Kit
Language:Python2 0 10
grains
Metallic and ceramic grain analysis made easy.
Language:Python5 0 12
kernel-density-estimation
Kernel density estimation in Rust.
Language:Rust27 1 76
lammps-projects
Scripts to run and analyze my LAMMPS calculations.
Language:Python1 1 00
lammps-trajectory-explorer
Bokeh dashboard to visualize LAMMPS trajectory files
Language:Python1 1 00
libxc-rs
Rust bindings to libxc.
Language:Rust1 1 01
velvet
[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
Language:Rust10 1 62
spglib-rs
Rust bindings to spglib.
Language:Rust5 2 21

seatonullberg's Repositories

seatonullberg/kernel-density-estimation
Kernel density estimation in Rust.
Language:Rust27 1 76
seatonullberg/velvet
[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
Language:Rust10 1 62
seatonullberg/grains
Metallic and ceramic grain analysis made easy.
Language:Python5 0 12
seatonullberg/cmstk
Computational Materials Science Tool Kit
Language:Python2 0 10
seatonullberg/chemfiles-cli
A simple chemistry file conversion CLI which wraps the chemfiles library
Language:C1 1 00
seatonullberg/lammps-projects
Scripts to run and analyze my LAMMPS calculations.
Language:Python1 1 00
seatonullberg/lammps-trajectory-explorer
Bokeh dashboard to visualize LAMMPS trajectory files
Language:Python1 1 00
seatonullberg/libxc-rs
Rust bindings to libxc.
Language:Rust1 1 01
seatonullberg/moltemplate-data
LT template files I use to run LAMMPS simulations with moltemplate
1 1 01
seatonullberg/ugraph
C89 undirected graph implementation.
Language:C1 1 0
seatonullberg/atompack
A flexible Python library for atomic structure generation.
Language:Python1 0
seatonullberg/calg
A library of common data structures and algorithms written in C.
Language:C0 0
seatonullberg/chemfiles
Library for reading and writing chemistry files
Language:C++0 0
seatonullberg/Flask-Finder
Python based webapp to search inventory of a laboratory
Language:Python0 0
seatonullberg/GASP-python
Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
Language:Python0 0
seatonullberg/geo
Geospatial primitives and algorithms for Rust
Language:Rust0 0
seatonullberg/libatompack
A pure C library for atomic structure generation.
Language:C1 0
seatonullberg/linalg
C89 linear algebra library
Language:C1 0
seatonullberg/materials-embedding-book
An interactive guide to using hidden layer embeddings as descriptors of materials
Language:Jupyter Notebook
seatonullberg/matscipy
Materials science with Python at the atomic-scale
Language:Python0 0
seatonullberg/mobo
A rational and extensible algorithm for solving multi-objective optimization problems
Language:Python0 0
seatonullberg/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Language:Python0 0
seatonullberg/PyPPA
Python Powered Personal Assistant
Language:Python0 0
seatonullberg/retworkx
A python graph library implemented in Rust.
Language:Rust0 0
seatonullberg/seatonullberg.github.io
My personal website
Language:HTML0 0
seatonullberg/spglib
C library for finding and handling crystal symmetries
Language:C0 0
seatonullberg/tensor-view
A cross-platform GUI for visualizing anisotropy in 2nd rank tensor properties
Language:Go2 0
seatonullberg/tests-data
Test files for chemfiles
Language:Arc0 0