A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
☆31Sep 8, 2024Updated last year
Alternatives and similar repositories for pyrovskite
Users that are interested in pyrovskite are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆11Sep 23, 2024Updated last year
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated last year
- Toolkit for visualizing phase stability and defects diagrams from DFT calculations of multicomponent materials.☆19Feb 20, 2024Updated 2 years ago
- Band alignment plotting tool☆27Mar 28, 2025Updated last year
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Apr 22, 2026Updated last month
- 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.
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆23Mar 12, 2022Updated 4 years ago
- Script to generate distorted perovskite structures☆13Feb 10, 2024Updated 2 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Apr 23, 2026Updated last month
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆30Feb 16, 2022Updated 4 years ago
- Python package to analyse the structural dynamics of perovskites☆54Jan 14, 2026Updated 4 months 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
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)☆22Jan 17, 2021Updated 5 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 5 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.
- Code for paper "Accelerating the discovery of materials for integrated/complex device"☆14Dec 20, 2023Updated 2 years ago
- A set of tools and structures for modelling perovskite polytypes☆12Jun 18, 2023Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆33Jan 12, 2026Updated 4 months ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆36Jan 24, 2026Updated 4 months ago
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆27Aug 5, 2020Updated 5 years ago
- Notes on Electronic Structure Theory (CHEM532)☆25Feb 14, 2025Updated last year
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆16Oct 20, 2025Updated 7 months ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- ☆28Apr 21, 2026Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 2 weeks ago
- Python package for Moiré EXciton calculations☆14Aug 22, 2025Updated 9 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆18Dec 18, 2022Updated 3 years ago
- DFT optimised crystal structures of inorganic and hybrid halide perovskites☆113Sep 3, 2019Updated 6 years ago
- Some codes/scripts I wrote for post-processing the ugly formatted VASP outputs.☆13Aug 15, 2020Updated 5 years ago
- Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)☆142Feb 7, 2026Updated 3 months ago
- A unified package for post-processing optical properties of point defects from first principles calculation.☆11Updated this week
- 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.
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- ☆22Aug 25, 2023Updated 2 years ago
- A tool for calculating distortion parameters in coordination complexes.☆18Apr 16, 2026Updated last month
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆20Aug 2, 2023Updated 2 years ago
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- python workflow for GW-BSE calculation☆31Jun 16, 2023Updated 2 years ago