aiidalab / aiidalab-docker-stack
Docker images with the basic software stack for AiiDAlab
☆9Updated this week
Related projects ⓘ
Alternatives and complementary repositories for aiidalab-docker-stack
- Implements core functions for AiiDAlab.☆15Updated last month
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆52Updated last week
- A simulation package of phonon-phonon interaction related properties☆125Updated this week
- The official AiiDA plugin for Quantum ESPRESSO☆55Updated this week
- An AiiDA plugin for dynamically defining workflows using Python functions☆17Updated 2 years ago
- Read and write GSD files for use with HOOMD-blue.☆25Updated last week
- Specification of a common REST API for access to materials databases☆83Updated last week
- AiiDA plugin that makes running shell commands easy.☆14Updated 2 months ago
- jobflow is a library for writing computational workflows.☆96Updated this week
- A JupyterLab launcher extension to view the molecular orbitals.☆12Updated 2 months ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆25Updated 2 months ago
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 weeks ago
- A lightweight package with the periodic table of the elements☆12Updated 3 years ago
- AiiDA tutorials web site☆23Updated 2 months ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆22Updated last week
- Phonon for AiiDA☆18Updated 5 months ago
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated this week
- Implementation of Koopmans-compliant functionals in Quantum ESPRESSO☆13Updated last month
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆36Updated this week
- Registry for BIG-MAP apps and codes. Find the apps☆10Updated this week
- Sample molecular simulation workflows using a MoSDeF and community tools☆14Updated 2 years ago
- MongoDB aggregation machine☆38Updated this week
- The CP2K plugin for the AiiDA workflow and provenance engine.☆23Updated 2 months ago
- A real-space DFT code☆16Updated 3 years ago
- Defect analysis modules for pymatgen☆41Updated this week
- Crystal structure container and parsers for structure formats.☆34Updated last week
- A set of useful tools for Quantum ESPRESSO☆30Updated last month
- Workflow management for signac-managed data spaces.☆48Updated 3 weeks ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆44Updated this week
- ase interface for Quantum Espresso☆21Updated 3 years ago