Heavyweight plotting tools for ab initio calculations
☆245Apr 9, 2026Updated this week
Alternatives and similar repositories for sumo
Users that are interested in sumo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Dealing with slabs for first principles calculations of surfaces☆66Sep 17, 2023Updated 2 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆244Apr 3, 2026Updated last week
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆85May 15, 2025Updated 10 months ago
- Band structure unfolding made easy!☆62Mar 1, 2026Updated last month
- Defect structure-searching employing chemically-guided bond distortions☆117Mar 4, 2026Updated last month
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Electronic transport properties from first-principles calculations☆158Mar 16, 2026Updated 3 weeks ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- A Python library for electronic structure pre/post-processing☆207Jan 29, 2026Updated 2 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Blender extensions for illustrations of phonons☆69Mar 6, 2019Updated 7 years ago
- A code to generate atomic structure with symmetry☆360Apr 6, 2026Updated last week
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆48May 6, 2024Updated last year
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 2 months ago
- Defect analysis modules for pymatgen☆63Apr 6, 2026Updated last week
- 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.
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆53May 9, 2025Updated 11 months ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆31Jan 12, 2026Updated 3 months ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- Phonon code☆473Updated this week
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆275Mar 23, 2026Updated 3 weeks ago
- atomate2 is a library of computational materials science workflows☆293Apr 7, 2026Updated last week
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆108Aug 4, 2024Updated last year
- Fermi surface generation, analysis and visualisation.☆100Apr 2, 2026Updated last week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- VASP Convergence Testing (for Energy & Dielectric Constants)☆57Nov 11, 2025Updated 5 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆181Apr 6, 2026Updated last week
- Automatic generation of crystal structure descriptions.☆134Apr 6, 2026Updated last week
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- A toolkit for visualizations in materials informatics.☆309Updated this week
- Tools for Phono(3)py power users.☆36Oct 23, 2023Updated 2 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆41Updated this week
- quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.☆256Apr 6, 2026Updated last week
- Statistical Mechanics on Lattices☆94Apr 6, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Analysis of quantum chemical interactions in molecules and solids.☆118Updated this week
- Data mining for materials science☆579Apr 6, 2026Updated last week
- Band alignment plotting tool☆26Mar 28, 2025Updated last year
- A python library for calculating materials properties from the PES☆136Apr 6, 2026Updated last week
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Jan 17, 2026Updated 2 months ago
- ☆62Jul 19, 2022Updated 3 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago