Popular repositories Loading

1. MAZE-sim MAZE-sim Public

   This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate the calculations required to determine their properties.

   Python 21 2

2. QuantEXAFS QuantEXAFS Public

   Python 11 1

3. ramanbox ramanbox Public

   A series of objects to organize and store Raman spectra from Surface Enhanced Raman Spectroscopy (SERS) experiments.

   Jupyter Notebook 4 1

4. vasp-fw vasp-fw Public

   Functions for linking VASP/ASE and Fireworks together so that they can talk with each other

   Python 4

5. Si-ZEO22 Si-ZEO22 Public

   Forked from tysours/Si-ZEO22

   Jupyter Notebook 3

6. HIm-SALEM-2_OPES_paper HIm-SALEM-2_OPES_paper Public

   Paper data, models, analysis, plotting scripts, MD + OPES templates

   Jupyter Notebook 2