Visualizations
☆14Jan 10, 2022Updated 4 years ago
Alternatives and similar repositories for electronic-structure-visualization
Users that are interested in electronic-structure-visualization are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A real-space DFT code☆15Dec 4, 2020Updated 5 years ago
- ☆19Oct 24, 2018Updated 7 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 10 months ago
- ☆29Jun 30, 2024Updated 2 years ago
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 6 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Feb 5, 2018Updated 8 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- A collection of command line utilities for manipulating VASP input / outpu☆25Mar 4, 2022Updated 4 years ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Feb 3, 2024Updated 2 years ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆15Mar 25, 2019Updated 7 years ago
- High throughput workflow tools for characterizing 2D materials in VASP.☆22Jul 6, 2023Updated 3 years ago
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆36Jun 26, 2023Updated 3 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 3 years ago
- Software to study polarization and topological properties of crystalline solids☆31Nov 15, 2024Updated last year
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- A general parser for VASP☆16Updated this week
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆28May 25, 2023Updated 3 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆17May 9, 2019Updated 7 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆15Mar 30, 2020Updated 6 years ago
- Solvation model for the plane wave DFT code VASP.☆179Oct 1, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆101Oct 2, 2026Updated last week
- Calculate the planar averaged electrostatic potential for the density functional theory code VASP (Version 5 compatible)☆20Sep 10, 2017Updated 9 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Updated this week
- Julia codes to play with Phonons☆25Nov 7, 2018Updated 7 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 4 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Oct 1, 2026Updated last week
- ☆62Jul 19, 2022Updated 4 years ago
- An interface for ELK-Wannier90 calculations☆16Oct 13, 2020Updated 5 years ago
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- A Python library for electronic structure pre/post-processing☆224Updated this week
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago