Materials Science Scripts
☆13Aug 28, 2025Updated 10 months ago
Alternatives and similar repositories for MatSciScripts
Users that are interested in MatSciScripts are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Effective mass calculation with DFT☆16Jan 20, 2026Updated 5 months ago
- ☆13Jan 4, 2024Updated 2 years ago
- Jupyter notebooks outlining theory and calculations for hot polaron cooling in halide perovskite solar cells☆11Feb 23, 2018Updated 8 years ago
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆24Dec 28, 2021Updated 4 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- TDEP Tutorials☆37Jun 1, 2025Updated last year
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 6 months ago
- Matplotlib wrapper for WIEN2k post-processing☆12Jan 23, 2024Updated 2 years ago
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Apr 30, 2025Updated last year
- Draft for my book about implementing density functional theory☆20Mar 18, 2026Updated 3 months ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- A Basic Symmetry Module (Python)☆17Feb 21, 2026Updated 4 months ago
- Code to convert DFPT modes in OUTCAR files to VESTA images☆27Aug 14, 2022Updated 3 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 3 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- 一个简洁高效的 AI 命令行助手，支持对话、命令生成、文件处理。☆17Sep 16, 2025Updated 9 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 5 months ago
- Automatic search for the most stable magnetic state of a given structure☆26Feb 17, 2026Updated 4 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- Creating elastic structures using LAMMPS☆12Jan 30, 2023Updated 3 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 3 years ago
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 9 months 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.
- 基于python的PLUMED的可视化界面开发☆13Jan 8, 2025Updated last year
- A simulation engine for compartmental models☆15Jun 4, 2026Updated 3 weeks ago
- A library to align rigid molecules and clusters☆13Jun 19, 2026Updated last week
- Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.☆46May 16, 2018Updated 8 years ago
- An open-source framework to treat strongly correlated materials using DMFT.☆64Jun 12, 2026Updated 2 weeks ago
- Practical guide on how to use VASP☆28Jul 14, 2020Updated 5 years ago
- ☆94Mar 19, 2026Updated 3 months ago
- Building equivalent circuits and working up EIS data using Python☆21Feb 21, 2026Updated 4 months ago
- Making life easier using scripting languages (Bash and Python) to facilitate multiple VASP simulation jobs preparation, submission and an…☆13Dec 15, 2014Updated 11 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.
- Electron Density Plotter☆40Feb 6, 2025Updated last year
- Example for latex to word using Pandoc☆15Apr 23, 2022Updated 4 years ago
- ☆10Sep 26, 2025Updated 9 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Feb 19, 2024Updated 2 years ago
- phq: a Fortran code to compute phonon quasiparticle properties and dispersions☆15Aug 16, 2019Updated 6 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- An AI assistant can help you with content composition right in your Microsoft Word☆18Sep 10, 2024Updated last year