published Published 11 months ago
pymatgen-analysis-defects: A Python package for analyzing point defects in crystalline materials
Python Jupyter Notebook
@jmmshn
published Published 11 months ago
easyunfold: A Python package for unfolding electronic band structures
Python
@zhubonan
published Published 12 months ago
FlowerMD: Flexible Library of Organic Workflows and Extensible Recipes for Molecular Dynamics
Python Jupyter Notebook
@marjanalbouye
published Published about 1 year ago
NOMAD: A distributed web-based platform for managing materials science research data
@markus1978
published Published about 1 year ago
brains-py, A framework to support research on energy-efficient unconventional hardware for machine learning
Python
@ualegre
published Published about 1 year ago
The Generalized Green's function Cluster Expansion: A Python package for simulating polarons
Python
@matthewcarbone
published Published over 1 year ago
TauFactor 2: A GPU accelerated python tool for microstructural analysis
Jupyter Notebook Python
@stke9
published Published over 1 year ago
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Python Jupyter Notebook
published Published over 1 year ago
spgrep: On-the-fly generator of space-group irreducible representations
Python
@lan496
published Published over 1 year ago
@trygvrad
