Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.
☆25Sep 9, 2022Updated 4 years ago
Alternatives and similar repositories for StructurePrototypeAnalysisPackage
Users that are interested in StructurePrototypeAnalysisPackage 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 module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- ☆19May 30, 2019Updated 7 years ago
- POST code for second order elastic constant☆47Apr 14, 2020Updated 6 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆95Apr 3, 2025Updated last year
- The pytorch implement of papar《AI-accelerated Discovery of Altermagnetic Materials》☆19Mar 19, 2026Updated 7 months 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.
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆137May 26, 2026Updated 5 months ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 7 years ago
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆15Aug 31, 2022Updated 4 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Python package for detecting spin space group on top of spglib☆25Sep 29, 2026Updated last month
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- An updated version of the VASP2WANNIER90v2 interface☆111Sep 19, 2023Updated 3 years ago
- ☆13Dec 15, 2023Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 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.
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆15Feb 18, 2022Updated 4 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- ☆23Apr 16, 2020Updated 6 years ago
- JAX implementation of the NequIP neural network interatomic potential☆18Feb 24, 2026Updated 8 months ago
- Molecular Crystal Representation from Transformer☆17Dec 19, 2024Updated last year
- ☆19Jan 27, 2020Updated 6 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆46Sep 13, 2026Updated last month
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆294Apr 27, 2026Updated 6 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆36Oct 24, 2025Updated last year
- New ASE compliant Python interface to VASP☆157Oct 20, 2026Updated last week
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆14Apr 2, 2026Updated 6 months ago
- ☆12Mar 16, 2021Updated 5 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Nov 6, 2024Updated last year
- a python package for computing magnetic interaction parameters☆105Oct 23, 2026Updated last week
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆190Jan 7, 2026Updated 9 months ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 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.
- Reproduction of CGCNN for predicting material properties☆29Oct 5, 2026Updated 3 weeks ago
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Some ongoing projects in Zhu's group☆27Mar 31, 2024Updated 2 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 7 years ago
- Python scripts for generating moiré lattices in twisted bilayer 2D materials and creating TMDC nanotubes.☆11Oct 13, 2024Updated 2 years ago
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 11 months ago