superstar54 / weas-widgetLinks
A widget to visualize and edit atomic structures in Jupyter Notebook
☆36Updated 5 months ago
Alternatives and similar repositories for weas-widget
Users that are interested in weas-widget are comparing it to the libraries listed below
Sorting:
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 9 months ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- AiiDA tutorials web site☆24Updated 11 months ago
- ☆67Updated 2 years ago
- A command line tool written in Python/C++ for finding optimized SQS structures☆50Updated this week
- The Temperature Dependent Effective Potentials (TDEP) code☆87Updated 3 weeks ago
- Grand canonical optimization of grain boundary phases.☆26Updated 3 months ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆35Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last week
- Band structure unfolding made easy!☆53Updated this week
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆100Updated 3 weeks ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Updated last year
- Defect analysis modules for pymatgen☆54Updated last week
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- New version of dft-book for Quantum Espresso☆45Updated 5 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆70Updated 3 months ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆37Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆47Updated 2 months ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 7 months ago
- A python library for calculating materials properties from the PES☆112Updated this week
- Dealing with slabs for first principles calculations of surfaces☆64Updated last year
- Tool for finding atomic environments in crystal structures☆22Updated 3 months ago
- python workflow toolkit☆42Updated 2 weeks ago
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆20Updated last month
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆56Updated 3 weeks ago
- Tools for machine learnt interatomic potentials☆33Updated 2 weeks ago
- An algorithm to match crystal structures atom-to-atom☆53Updated 2 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20Updated 5 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆73Updated this week