A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
☆166Apr 22, 2026Updated 2 months ago
Alternatives and similar repositories for seekpath
Users that are interested in seekpath are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆82Updated this week
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Sep 10, 2025Updated 10 months ago
- Phonon code☆486Updated this week
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- ☆75Jun 17, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆86Jul 13, 2026Updated last week
- A Python library for electronic structure pre/post-processing☆215Jan 29, 2026Updated 5 months ago
- Ab initio simulator for thermal transport and lattice anharmonicity☆200Jul 9, 2026Updated last week
- C library for finding and handling crystal symmetries☆371Jul 13, 2026Updated last week
- LAMMPS interface for phonon calculations using phonopy☆94Nov 5, 2025Updated 8 months ago
- A general parser for VASP☆16Jul 14, 2026Updated last week
- Advanced tool for Wannier interpolation and integration of k-space integrals☆120Jul 14, 2026Updated last week
- Code for automated fitting of machine learned interatomic potentials.☆152Jul 14, 2026Updated last week
- Multiple Scattering Theory code for first principles calculations☆76Updated this week
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Heavyweight plotting tools for ab initio calculations☆254Apr 9, 2026Updated 3 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆184Jul 6, 2026Updated 2 weeks ago
- The official AiiDA plugin for Phonopy☆24May 4, 2026Updated 2 months ago
- Library for Crystal Symmetry in Rust☆76Updated this week
- ☆80Updated this week
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆334Jun 9, 2025Updated last year
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Feb 3, 2024Updated 2 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- A python library for calculating materials properties from the PES☆148Jul 10, 2026Updated last week
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Generate symmetrized force constants☆29Jul 14, 2026Updated last week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆109May 23, 2026Updated last month
- Python module for drawing and rendering beautiful atoms and molecules using Blender.☆196Dec 9, 2025Updated 7 months ago
- Official repository of the Wannier90 code☆330Updated this week
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆398Jul 5, 2026Updated 2 weeks ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- Computing anomalous Hall conductivity in OpenMX☆12Sep 23, 2025Updated 9 months ago
- Scripts to calculate elastic properties from a set of strained structures☆21Jul 3, 2024Updated 2 years ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆18Jul 2, 2026Updated 2 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- BandUP: Band Unfolding code for Plane-wave based calculations☆107Apr 13, 2021Updated 5 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 5 months ago
- The Temperature Dependent Effective Potentials (TDEP) code☆122Jul 2, 2026Updated 2 weeks ago
- Phonon anharmonicity analysis from molecular dynamics☆143Apr 14, 2026Updated 3 months ago
- Fermi surface generation, analysis and visualisation.☆102Jul 1, 2026Updated 2 weeks ago
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 6 months ago
- Specification of a common REST API for access to materials databases☆107Jul 3, 2026Updated 2 weeks ago