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Seaton Ullberg's Projects

atompack icon atompack

A flexible Python library for atomic structure generation.

calg icon calg

A library of common data structures and algorithms written in C.

chemfiles icon chemfiles

Library for reading and writing chemistry files

chemfiles-cli icon chemfiles-cli

A simple chemistry file conversion CLI which wraps the chemfiles library

cmstk icon cmstk

Computational Materials Science Tool Kit

flask-finder icon flask-finder

Python based webapp to search inventory of a laboratory

gasp-python icon gasp-python

Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

geo icon geo

Geospatial primitives and algorithms for Rust

grains icon grains

Metallic and ceramic grain analysis made easy.

matscipy icon matscipy

Materials science with Python at the atomic-scale

mobo icon mobo

A rational and extensible algorithm for solving multi-objective optimization problems

moltemplate icon moltemplate

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

pyppa icon pyppa

Python Powered Personal Assistant

retworkx icon retworkx

A python graph library implemented in Rust.

spglib icon spglib

C library for finding and handling crystal symmetries

tensor-view icon tensor-view

A cross-platform GUI for visualizing anisotropy in 2nd rank tensor properties

ugraph icon ugraph

C89 undirected graph implementation.

velvet icon velvet

[WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility

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