Vincent Wu's repositories
electrochem
A package for dealing with electrochemical data
ssNMR-fitting
Python-based fitting of solid-state NMR spectra
CompositionalDrift
Simulates polymer chain growth based on the Mayo Lewis equation and the Monte Carlo method
vasp-outputs-analysis
Parses VASP output files, extracts and plots useful parameters
ewald-ordering
Determines the optimal electrostatic configuration of a disordered crystal.
carbon-notebook
A python-integrated workflow app for researchers
cellpy
extract and tweak data from electrochemical tests of cells
symmetric-structures
Calculates all symmetric structures from a base crystal structure
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.
crystal-refinement
Rietveld refinements on x-ray diffraction patterns to identify crystal phases
ProteinAnalyzer
Analyzes and visualizes hydrophobic and hydrophillic amino acid blocks in a protein
pyrsync
A pure Python module which implements the rsync algorithm.