AiiDA tutorials web site
☆24Oct 2, 2025Updated 10 months ago
Alternatives and similar repositories for aiida-tutorials
Users that are interested in aiida-tutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implements core functions for AiiDAlab.☆17Aug 1, 2026Updated last week
- The official AiiDA plugin for Phonopy☆23Jul 21, 2026Updated 2 weeks ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated last month
- The official AiiDA plugin for Quantum ESPRESSO☆89Updated this week
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 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.
- Code for the Selected Columns of the Density Matrix suite of algorithms☆14Dec 7, 2018Updated 7 years ago
- Find plugins for AiiDA☆21Updated this week
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- Domain specific library for electronic structure calculations☆170Aug 4, 2026Updated last week
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆10Jul 20, 2026Updated 3 weeks ago
- Public releases of the NeuralIL differentiable neural-network force field☆14Sep 10, 2024Updated last year
- A fully automated approach to determine the melting temperature of crystalline materials☆22Jul 23, 2024Updated 2 years ago
- API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed pro…☆14Updated this week
- 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.
- AiiDA plugin that makes running shell commands easy.☆16Jul 22, 2026Updated 2 weeks ago
- DLite - a lightweight data-centric framework for semantic interoperability☆43Jul 31, 2026Updated last week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆25Jul 6, 2026Updated last month
- 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 5 years ago
- ☆17Jan 2, 2021Updated 5 years ago
- A Virtual Machine for computational materials science☆106Jul 23, 2026Updated 2 weeks ago
- open data sets for machine learning pertaining to porous materials☆28Nov 28, 2023Updated 2 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook - based o…☆38Aug 3, 2026Updated last week
- An introductory papercraft spectrometry kit☆19Jul 11, 2020Updated 6 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.
- ☆17Sep 17, 2025Updated 10 months ago
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆24Mar 12, 2022Updated 4 years ago
- ☆15Apr 8, 2025Updated last year
- Basic Python libraries used by UGent's HPC group☆15Feb 24, 2026Updated 5 months ago
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago
- Moment Invariants Local Atomic Descriptor☆35Aug 20, 2024Updated last year
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆263Jul 18, 2024Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆95Nov 5, 2025Updated 9 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆37Apr 19, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- On-the-fly generator of space-group irreducible representations☆58Aug 3, 2026Updated last week
- A real-space DFT code☆15Dec 4, 2020Updated 5 years ago
- A python implementation of spherical Bessel transform (SBT) based on algorithm proposed by J. Talman.☆15Dec 18, 2023Updated 2 years ago
- Package for reading, analysis and visualization of metadynamics HILLS with 3 collective variables (addendum to metadynminer)☆11Apr 29, 2022Updated 4 years ago
- Some useful vasp scripts and tools☆22Dec 7, 2019Updated 6 years ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- [EMNLP '25] A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic mate…☆100Nov 11, 2025Updated 9 months ago