VASP Integrated Supporting Environment
☆27May 14, 2026Updated 2 weeks ago
Alternatives and similar repositories for vise
Users that are interested in vise are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Nov 16, 2022Updated 3 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆66May 14, 2026Updated 2 weeks ago
- ☆17Aug 26, 2025Updated 9 months ago
- Python package to simulate differential absorption spectra of crystals from first principles☆33Dec 21, 2025Updated 5 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 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.
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆35Aug 19, 2022Updated 3 years ago
- Practical guide on how to use VASP☆28Jul 14, 2020Updated 5 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated 2 years ago
- 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
- Collective atomic modulation analysis with irreducible space-group representation☆18May 18, 2026Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆255May 20, 2026Updated last week
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆32Oct 30, 2022Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33May 20, 2026Updated last week
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆50May 6, 2024Updated 2 years ago
- A tool for finding optimized SQS structures tool written in C++☆72Apr 22, 2026Updated last month
- A tool for calculating distortion parameters in coordination complexes.☆18Apr 16, 2026Updated last month
- ☆10Sep 26, 2025Updated 8 months ago
- Defect structure-searching employing chemically-guided bond distortions☆123May 11, 2026Updated 2 weeks ago
- 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.
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- vasp calculation flow☆22Sep 24, 2023Updated 2 years ago
- Personal collection of scripts to handle FHI-aims calculations.☆11May 26, 2024Updated 2 years ago
- Library for Crystal Symmetry in Rust☆75Updated this week
- Simmate: a full-stack framework for chemistry research.☆37Updated this week
- Useful scripts in Computaional Material Science.☆23Apr 13, 2026Updated last month
- A tool for constructing accurate machine learning force fields in moir\'e systems☆17Feb 12, 2026Updated 3 months ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- 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.
- A python library for calculating materials properties from the PES☆142Updated this week
- Dealing with slabs for first principles calculations of surfaces☆69Sep 17, 2023Updated 2 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- ☆75May 4, 2023Updated 3 years ago
- Unfolding of first-principle electronic band structure☆14Apr 23, 2023Updated 3 years ago
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 8 months ago