published Published 2 months ago
site-analysis: A Python package for site-projection analysis of molecular dynamics trajectories
Python Jupyter Notebook
@bjmorgan
published Published 8 months ago
pyElli: An open source ellipsometry analysis tool for FAIR data
Python Jupyter Notebook
@MarJMue
published Published over 1 year ago
TopologicalNumbers.jl: A Julia package for topological number computation
Julia Jupyter Notebook
@KskAdch
published Published over 1 year ago
cifkit: A Python package for coordination geometry and atomic site analysis
Python Jupyter Notebook
@bobleesj
published Published almost 2 years ago
AutoBZ.jl: Automatic, adaptive Brillouin zone integration using Wannier interpolation
Julia
@lxvm
published Published about 2 years ago
IonDiff: command-line tool to identify ionic diffusion events and hopping correlations in molecular dynamics simulations
Python
@IonRepo
published Published almost 3 years ago
MAHOS: Measurement Automation Handling and Orchestration System
Python C++
@ktahar
published Published almost 4 years ago
solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS
PHP
@the-hampel
published Published over 4 years ago
SurfinPy 2.0: A Phase Diagram Generator for Surfaces and Bulk Phases
Python
@jstse
published Published over 5 years ago
@symmy596
