Aleksandat's repositories
AtomEye
Modified fork of Ju Li's atomistic configuration viewer (http://li.mit.edu/Archive/Graphics/A/)
atomistica
Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS
calibre-themes
calibre-themes
CMII
Condensed Matter II notebooks
deft
classical density-functional theory
google-storage-ui
A user interface for Google Storage written in wxPython
iprPy
NIST Interatomic Potential Repository property calculation tools
matscipy
Repository for generic Python materials science tools
morkdown
A simple Markdown editor
numerical_computing
Numerical computing labs
PyChemia
Python Materials Discovery Framework
pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
pymatgen-db
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
python-guide
Python best practices guidebook, written for Humans.
python_reference
Useful functions, tutorials, and other Python-related things
QE-GPU
GPU-accelerated Quantum ESPRESSO
QUIP
libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org
shs
Siesta help scripts
Simple-Translate
is a powerful tool to translate selected words (or sentences) to a wide range of supported languages.
tempFortestingAseInnb
temporary repo for testing ASE python scripts in ipython notebook