Docker images with the basic software stack for AiiDAlab
☆10Sep 11, 2026Updated last week
Alternatives and similar repositories for aiidalab-docker-stack
Users that are interested in aiidalab-docker-stack are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server☆16Sep 7, 2026Updated last week
- Implements core functions for AiiDAlab.☆17Sep 10, 2026Updated last week
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote e…☆31Aug 28, 2026Updated 3 weeks ago
- Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).☆17Jul 15, 2023Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- AiiDAlab App for Quantum ESPRESSO☆33Updated this week
- Tools required to calculate the SLME of materials☆13Aug 28, 2024Updated 2 years ago
- A Jupyter widget to plot bandstructure and density of states.☆17Sep 12, 2024Updated 2 years ago
- The official AiiDA plugin for Quantum ESPRESSO☆91Aug 14, 2026Updated last month
- A widget to visualize and edit atomic structures in Jupyter Notebook☆52Feb 20, 2026Updated 6 months ago
- WEAS is JavaScript library to visualize and manipulate the atomic structures directly in the web browser.☆15Jul 31, 2026Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24Aug 20, 2026Updated 3 weeks ago
- machine learning interatomic potentials aiida plugin☆26Updated this week
- The official repository for the AiiDA code☆585Updated 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.
- A couple pedagogical jupyter notebooks about theoretical efficiency limits on solar cells☆23Nov 16, 2023Updated 2 years ago
- Linear implementation of DFT calculations (CPU and GPU)☆29Mar 9, 2026Updated 6 months ago
- X3D for Atomic Simulation Environment☆15Nov 8, 2020Updated 5 years ago
- Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.☆13May 29, 2022Updated 4 years ago
- A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation☆23Nov 15, 2015Updated 10 years ago
- A curated list of awesome governance resources☆20Aug 31, 2019Updated 7 years ago
- Conda recipes for Glotzer Lab software on HPC resources☆11Aug 11, 2026Updated last month
- Specification of a common REST API for access to materials databases☆108Aug 31, 2026Updated 2 weeks ago
- A JupyterLab extension to run and hide code cells.☆41Aug 11, 2026Updated last month
- 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.
- ☆10Mar 18, 2021Updated 5 years ago
- Shockley-Queisser limit Calculator. The Shockley-Queisser limit is the maximum photovoltaic efficiency obtained for a solar cell with res…☆21May 19, 2022Updated 4 years ago
- The official AiiDA plugin for Phonopy☆24Aug 17, 2026Updated last month
- Benchmark of Python JSON libraries☆14Feb 3, 2019Updated 7 years ago
- A Virtual Machine for computational materials science☆106Jul 23, 2026Updated last month
- ☆11Mar 4, 2025Updated last year
- A library to generate numerical descriptions of particle systems.☆13Aug 16, 2021Updated 5 years ago
- CP2K containers☆16Aug 20, 2026Updated 3 weeks ago
- Crystallographic files of common materials, elements, oxides, for visualization in Avogadro☆20Apr 1, 2026Updated 5 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A generalized deep learning approach for local structure identification in molecular simulations. See https://doi.org/10.1039/C9SC02097G …☆19Jun 25, 2020Updated 6 years ago
- Tools to pack a conda / mamba environment into a JS & WASM bundle☆24Jun 11, 2026Updated 3 months ago
- Models and analysis related to Covid-19☆11Apr 21, 2020Updated 6 years ago
- A Pythonic wrapper for the scientific journal, including Nature, Science, ScienceDirect, Wiley, ACS publication, RSC publication and so o…☆21Mar 18, 2020Updated 6 years ago
- ☆10Feb 12, 2020Updated 6 years ago
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Updated this week
- Finite Element Solvers for Atomic Structure Calculations☆12Apr 10, 2026Updated 5 months ago