The CP2K plugin for the AiiDA workflow and provenance engine.
☆26Oct 14, 2026Updated this 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 3 years ago
- A plugin to AiiDA for running simulations with VASP☆65Updated this week
- AiiDA plugin that makes running shell commands easy.☆16Aug 26, 2026Updated last month
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆63Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆92Updated this 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.
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Oct 6, 2026Updated last week
- Python tools to handle CP2K output files☆55Updated this week
- The official repository for the AiiDA code☆597Updated this week
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- iRASPA for linux☆37Aug 18, 2026Updated last month
- ☆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
- 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.
- The official AiiDA plugin for Phonopy☆24Aug 17, 2026Updated 2 months ago
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆32Aug 28, 2026Updated last month
- LAMMPS plugin for AiiDA☆29Updated 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 2 years ago
- 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☆19Jun 10, 2022Updated 4 years ago
- A Python module for scripting with Q-Chem☆14Aug 16, 2022Updated 4 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.
- AiiDA tutorials web site☆25Oct 2, 2025Updated last year
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- Utilities for ab initio modeling suite CRYSTAL, developed in Turin University☆11Aug 28, 2025Updated last year
- Python Workflow Definition - workflow interoperability for aiida, jobflow and pyiron☆19Updated this week
- Quantum chemistry and solid state physics software package☆1,223Updated this week
- A general parser for VASP☆16Updated this week
- A Python suite for manipulating VASP input and output☆54Mar 28, 2026Updated 6 months 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…☆60Jul 15, 2019Updated 7 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆60Jun 26, 2026Updated 3 months 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.
- A 22.9 million carbon atom dataset☆16Mar 7, 2023Updated 3 years ago
- Implements core functions for AiiDAlab.☆17Updated this week
- 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☆56Oct 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☆82Apr 29, 2020Updated 6 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year