aiidateam / aiida-cp2kView external linksLinks
The CP2K plugin for the AiiDA workflow and provenance engine.
☆25Jan 5, 2026Updated last month
Alternatives and similar repositories for aiida-cp2k
Users that are interested in aiida-cp2k are comparing it to the libraries listed below
Sorting:
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆13Aug 27, 2023Updated 2 years ago
- A plugin to AiiDA for running simulations with VASP☆60Updated this week
- AiiDA plugin that makes running shell commands easy.☆17Jan 14, 2026Updated last month
- The official AiiDA plugin for Quantum ESPRESSO☆74Nov 28, 2025Updated 2 months ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆57Jan 26, 2026Updated 2 weeks ago
- AiiDA workflows for the LSMO laboratory at EPFL☆10Sep 8, 2023Updated 2 years ago
- Python tools to handle CP2K output files☆46Updated this week
- iRASPA for linux and windows☆36Aug 27, 2024Updated last year
- Python Cp2k interface☆100Jun 7, 2022Updated 3 years ago
- A Basic Symmetry Module (Python)☆17Nov 28, 2025Updated 2 months ago
- zeo++ fork of the LSMO☆23Dec 19, 2022Updated 3 years ago
- The official repository for the AiiDA code☆539Updated this week
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆21Oct 15, 2024Updated last year
- The official AiiDA plugin for Phonopy☆20Dec 24, 2025Updated last month
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 5 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 6 years ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 5 months ago
- LAMMPS plugin for AiiDA☆27Jan 26, 2026Updated 2 weeks ago
- ☆30Dec 27, 2024Updated last year
- A Python suite for manipulating VASP input and output☆49Nov 6, 2025Updated 3 months ago
- AiiDA tutorials web site☆24Oct 2, 2025Updated 4 months ago
- machine learning interatomic potentials aiida plugin☆18Jan 30, 2026Updated 2 weeks ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆17Feb 2, 2026Updated last week
- Collective variables by artificial neural networks☆10Mar 16, 2022Updated 3 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆56Jul 15, 2019Updated 6 years ago
- ☆41Jan 17, 2025Updated last year
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 2 years ago
- A Python module for scripting with Q-Chem☆14Aug 16, 2022Updated 3 years ago
- A 22.9 million carbon atom dataset☆15Mar 7, 2023Updated 2 years ago
- A general parser for VASP☆15Jan 26, 2026Updated 2 weeks ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆55Jan 9, 2026Updated last month
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆25Jan 26, 2026Updated 2 weeks ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Jan 28, 2025Updated last year
- ☆73May 4, 2023Updated 2 years ago
- A repository to hold forcefields for molecular mechanics calculations with RASPA☆16Mar 27, 2025Updated 10 months ago
- Implements core functions for AiiDAlab.☆16Jan 5, 2026Updated last month
- 2017-09-26 Linux source.☆20Dec 28, 2021Updated 4 years ago
- A computational framework to automate point defect calculations☆38Jun 5, 2018Updated 7 years ago
- A Benchmarking Framework for Crystal GNNs☆20Jan 3, 2024Updated 2 years ago