published Published 30 days ago
lammpsio: Transparent and reproducible handling of LAMMPS particle data in Python
Python
published Published about 1 month ago
SpectralUnmixing: A general Julia package for unmixing spectroscopy data
Python Julia
published Published about 1 month ago
dKMC: Delocalised kinetic Monte Carlo for simulating fundamental transport processes involving partially delocalised carriers in disordered materials
Julia
published Published 5 months ago
ginjax: E(d)-Equivariant CNN for Tensor Images
Jupyter Notebook Python
published Published 8 months ago
SAnTex: A Python-based Library for Seismic Anisotropy Calculation
Jupyter Notebook Python
published Published 8 months ago
LCOI: Local crystalline orientation identifier using mask fitting implemented in MATLAB
MATLAB
published Published 9 months ago
pengWann: Descriptors of chemical bonding from Wannier functions
Rust Python
published Published about 1 year ago
cifkit: A Python package for coordination geometry and atomic site analysis
Python Jupyter Notebook
published Published over 1 year ago

