MAterials Simulation Toolkit for use with pymatgen
☆17Feb 21, 2024Updated 2 years ago
Alternatives and similar repositories for MAST
Users that are interested in MAST are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Visualizations☆14Jan 10, 2022Updated 4 years ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Jan 12, 2021Updated 5 years ago
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- ☆23Jun 29, 2026Updated 4 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆111May 23, 2026Updated 5 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Topological analysis for Li local space, site, pathway in crystal structures☆15Jan 21, 2020Updated 6 years ago
- Materials Interface: methods in computational materials science☆28Mar 28, 2017Updated 9 years ago
- Assets for the 2017 Materials Project workshop☆22Nov 27, 2017Updated 8 years ago
- Full-potential Korringa-Kohn-Rostoker Green function code JuKKR: All-electron DFT (repo mirror)☆13May 3, 2024Updated 2 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Updated this week
- A code to simulate linearized phonon transport☆15May 7, 2017Updated 9 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆15Nov 17, 2023Updated 2 years ago
- A collection of structures, force constants and phonon data obtained from first-principles calculations☆40Sep 13, 2020Updated 6 years 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.
- Analyse molecular dynamics simulations of solid-state ion transport by assigning mobile ions to discrete sites☆18Oct 23, 2026Updated last week
- ☆13Jul 24, 2026Updated 3 months ago
- ☆23Jun 2, 2024Updated 2 years ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Oct 1, 2026Updated last month
- MAterials Simulation Toolkit for Machine Learning (MAST-ML)☆130Oct 10, 2025Updated last year
- Python Processing Tool for Vasp Ipnut/Output☆13Jul 6, 2023Updated 3 years ago
- Generate isosurface from density data☆15Sep 7, 2026Updated last month
- BandUP: Band Unfolding code for Plane-wave based calculations☆108Apr 13, 2021Updated 5 years ago
- Multipurpose ab initio MD program.☆15Sep 3, 2026Updated last month
- 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.
- An open-source framework to treat strongly correlated materials using DMFT.☆64Jun 12, 2026Updated 4 months ago
- A code for generating irreducible site-occupancy configurations☆56Dec 19, 2023Updated 2 years ago
- ☆62Jul 19, 2022Updated 4 years ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆86May 11, 2026Updated 5 months ago
- CGCNN for inorganic solid materials☆13Sep 7, 2025Updated last year
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆39May 20, 2026Updated 5 months ago
- The quasiparticle self-consistent GW method in the PMT method (LAPW+LMTO+Lo).☆37Oct 22, 2026Updated last week
- ☆12Mar 16, 2021Updated 5 years ago
- LAMMPS extension to capture electron-ion interaction. This is a mirror of https://gitlab.com/artuuuro/USER-EPH.☆23Oct 8, 2026Updated 3 weeks 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.
- Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.☆10Sep 24, 2023Updated 3 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93May 11, 2026Updated 5 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆59Sep 25, 2023Updated 3 years ago
- A collection of crystal structures from first-principles simulations☆43Apr 9, 2020Updated 6 years ago
- Jupyter notebooks and data for our Chemistry of Materials article "Data-driven First Principles Methods for the Study and Design of Alkal…☆12Oct 1, 2020Updated 6 years ago
- ☆22Aug 25, 2023Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆39Feb 20, 2020Updated 6 years ago