Site-Occupancy Disorder (SOD)
☆63Oct 11, 2026Updated 2 weeks ago
Alternatives and similar repositories for sod
Users that are interested in sod are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- VibroML: Machine-Learning Vibrational Analysis & Stability☆11Updated this week
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated 2 months ago
- A Python library for electronic structure pre/post-processing☆225Oct 10, 2026Updated 2 weeks ago
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- Tools for machine learnt interatomic potentials☆51Updated 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.
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆111May 23, 2026Updated 5 months ago
- Phonon anharmonicity analysis from molecular dynamics☆143Updated this week
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Oct 16, 2026Updated last week
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆12Oct 9, 2026Updated 2 weeks ago
- Python package to simulate differential absorption spectra of crystals from first principles☆34Dec 21, 2025Updated 10 months ago
- 'Discovery and recovery of crystalline materials with property-conditioned transformers' Zoo☆20Oct 13, 2026Updated 2 weeks ago
- A code for generating irreducible site-occupancy configurations☆56Dec 19, 2023Updated 2 years ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- A unified package for post-processing optical properties of point defects from first principles calculation.☆12Jul 18, 2026Updated 3 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆41Oct 15, 2026Updated 2 weeks 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
- ☆18Feb 26, 2026Updated 8 months ago
- Interfacial Phonon code☆30Jul 31, 2022Updated 4 years ago
- Dealing with slabs for first principles calculations of surfaces☆71Sep 17, 2023Updated 3 years ago
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- A Python library for transforming structures by performing atomic substitutions.☆12Jul 9, 2018Updated 8 years 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.
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 5 months ago
- ☆43Updated this week
- Band unfolding for phonons☆64Oct 23, 2024Updated 2 years ago
- electrostatic model sandbox based on the MACE MLIP architecture☆40Updated this week
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆40Apr 28, 2016Updated 10 years ago
- A python library for calculating materials properties from the PES☆157Updated this week
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- Generate symmetrized force constants☆31Updated this week
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 11 months 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.
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- Statistical Mechanics on Lattices☆101Oct 19, 2026Updated last week
- Tensor Atomic/Edge Cluster Expansion☆75Updated this week
- ☆62Jul 19, 2022Updated 4 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆21Apr 19, 2023Updated 3 years ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆44Jul 4, 2026Updated 3 months ago
- ☆22Oct 13, 2026Updated 2 weeks ago