The CP2K plugin for the AiiDA workflow and provenance engine.
☆25Aug 11, 2026Updated last week
Alternatives and similar repositories for aiida-cp2k
Users that are interested in aiida-cp2k are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
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☆64Updated this week
- AiiDA plugin that makes running shell commands easy.☆16Updated this week
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆62Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆89Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Aug 3, 2026Updated 2 weeks ago
- The official repository for the AiiDA code☆577Updated this week
- Python tools to handle CP2K output files☆53Aug 10, 2026Updated last week
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- iRASPA for linux☆37Updated this week
- ☆43Jan 17, 2025Updated last year
- Toolkit using the Atomistic Simulation Environment (ASE)☆20May 7, 2020Updated 6 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago
- 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.
- The official AiiDA plugin for Phonopy☆23Updated this week
- A Basic Symmetry Module (Python)☆17Feb 21, 2026Updated 5 months ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆29Aug 10, 2026Updated last week
- LAMMPS plugin for AiiDA☆28Updated this week
- ☆32Dec 27, 2024Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆23Oct 15, 2024Updated last year
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- Collective variables by artificial neural networks☆11Mar 16, 2022Updated 4 years ago
- An AiiDA plugin for dynamically defining workflows using Python functions☆18Jun 10, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A Python module for scripting with Q-Chem☆14Aug 16, 2022Updated 4 years ago
- AiiDA tutorials web site☆24Oct 2, 2025Updated 10 months ago
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- A general parser for VASP☆16Updated this week
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated 11 months ago
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Aug 10, 2026Updated last week
- Quantum chemistry and solid state physics software package☆1,190Updated this week
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 4 months ago
- Implements core functions for AiiDAlab.☆17Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- 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…☆59Jul 15, 2019Updated 7 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated last month
- A 22.9 million carbon atom dataset☆16Mar 7, 2023Updated 3 years ago
- 2017-09-26 Linux source copied from Sourceforge. This is **not** the development repository.☆25Dec 28, 2021Updated 4 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 2023Updated 2 years ago
- Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations☆23Nov 8, 2022Updated 3 years ago
- The new generation molecular viewer for IPython notebook☆83Apr 29, 2020Updated 6 years ago