Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.
☆23Sep 9, 2022Updated 3 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☆45Apr 14, 2020Updated 6 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆93Apr 3, 2025Updated last year
- 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.
- ☆12Dec 15, 2023Updated 2 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Jun 1, 2026Updated last week
- End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.☆14Aug 31, 2022Updated 3 years ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Sep 27, 2019Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 years ago
- Utility scripts and programs for VASP calculations☆25Apr 8, 2026Updated 2 months ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 3 months ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆133May 26, 2026Updated 2 weeks ago
- ☆23Apr 16, 2020Updated 6 years 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.
- An updated version of the VASP2WANNIER90v2 interface☆109Sep 19, 2023Updated 2 years ago
- 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 5 years ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- ☆19Jan 27, 2020Updated 6 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- a python package for computing magnetic interaction parameters☆97May 17, 2026Updated 3 weeks ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 3 months ago
- Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of t…☆13Apr 2, 2026Updated 2 months 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.
- ☆12Mar 11, 2026Updated 2 months ago
- ☆15Nov 29, 2023Updated 2 years ago
- Reproduction of CGCNN for predicting material properties☆27Jun 1, 2026Updated last week
- 高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）☆13Aug 23, 2021Updated 4 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- Wyckoff Inorganic Crystal Generator Framework☆30Mar 7, 2025Updated last year
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- some toolkits for VASP☆35Apr 30, 2021Updated 5 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.
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆184Jan 7, 2026Updated 5 months ago
- Ab initio tight binding simuation package☆39Dec 3, 2025Updated 6 months ago
- Some ongoing projects in Zhu's group☆28Mar 31, 2024Updated 2 years ago
- Tool to analyze the charge evolution in a reaction pathway as derived from the nudged elastic band (NEB) method in VASP☆15Jan 2, 2022Updated 4 years ago
- An interactive viewer☆14Jun 17, 2020Updated 5 years ago
- Scripts to extract various properties from VASP OUTCAR file☆12Jul 30, 2023Updated 2 years ago
- Construct phonon tight-binding model and calculate its topological properties☆27Sep 15, 2019Updated 6 years ago