Primer of crystal symmetry and space group
☆17Jan 7, 2026Updated 7 months ago
Alternatives and similar repositories for crystal-symmetry-primer
Users that are interested in crystal-symmetry-primer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generate symmetrized force constants☆29Updated this week
- TDEP Tutorials☆38Jun 1, 2025Updated last year
- Collective atomic modulation analysis with irreducible space-group representation☆18Aug 11, 2026Updated last week
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 5 months 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.
- On-the-fly generator of space-group irreducible representations☆59Updated this week
- A conda-smithy repository for lammps.☆10Aug 9, 2026Updated last week
- ☆18Mar 24, 2025Updated last year
- Visualise lattice vibrations☆112Apr 4, 2026Updated 4 months ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆83Aug 2, 2026Updated 2 weeks ago
- A simple python/numpy script for calculating successive Brillouin zones of lattices.☆10Nov 20, 2016Updated 9 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆123Jul 2, 2026Updated last month
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Aug 5, 2026Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆71Apr 26, 2026Updated 3 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.
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 5 months ago
- More efficient and faster version of pyscal☆31May 1, 2026Updated 3 months ago
- Statistical Mechanics on Lattices☆99Updated this week
- A phonon irreducible representations calculator☆24Apr 11, 2024Updated 2 years ago
- Make periodic table map plots and pettifor-style trend plots.☆28Apr 9, 2018Updated 8 years ago
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Jul 27, 2026Updated 3 weeks ago
- Atomic Cluster Expansion for Modelling Invariant Atomic Properties☆24Apr 15, 2025Updated last year
- DFT dataset and machine learning models for high entropy alloys☆31Apr 19, 2024Updated 2 years ago
- Graph-based Deep Learning of Polycrystals☆19Nov 12, 2022Updated 3 years ago
- 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.
- ☆13Jan 4, 2024Updated 2 years ago
- Library for Crystal Symmetry in Rust☆77Updated this week
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆19Apr 24, 2026Updated 3 months ago
- URL links to phonondb data☆41May 20, 2026Updated 2 months ago
- Extended XYZ read/write support for Julia☆18Jun 17, 2026Updated 2 months ago
- ☆22Jun 29, 2026Updated last month
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 2 years ago
- Python package for detecting spin space group on top of spglib☆23Oct 29, 2025Updated 9 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.
- Point symmetry analysis tool for theoretical chemistry objects☆22Aug 4, 2026Updated 2 weeks ago
- Python based tool for Hough/Radon based EBSD orientation indexing☆19Jul 4, 2026Updated last month
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Minimum-strain symmetrization of Bravais lattices☆18May 14, 2020Updated 6 years ago
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Aug 10, 2026Updated last week
- Repository for the code of the simplex non-negative matrix factorization algorithm for EDXS data☆18Updated this week
- Heavyweight plotting tools for ab initio calculations☆255Apr 9, 2026Updated 4 months ago