aiidalab / aiidalab-docker-stack
Docker images with the basic software stack for AiiDAlab
☆9Updated this 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
Sorting:
- Implements core functions for AiiDAlab.☆16Updated this week
- AiiDAlab App for Quantum ESPRESSO☆14Updated last month
- An AiiDA plugin for dynamically defining workflows using Python functions☆17Updated 2 years ago
- jobflow is a library for writing computational workflows.☆103Updated last week
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆53Updated 6 months ago
- Some classes to help managing large number of submissions, while controlling the maximum number of submissions running at any given time☆9Updated 4 months ago
- Up-scale python functions for high performance computing (HPC)☆31Updated this week
- A JupyterLab launcher extension to view the molecular orbitals.☆17Updated 8 months ago
- Specification of a common REST API for access to materials databases☆87Updated 2 weeks ago
- Analysis of Molecular Dynamics output in the IPython Notebook☆10Updated 8 years ago
- Phonon for AiiDA☆19Updated 2 months ago
- A real-space DFT code☆16Updated 4 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated this week
- Find plugins for AiiDA☆18Updated this week
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆31Updated 9 months ago
- A Jupyter widget to plot bandstructure and density of states.☆16Updated 8 months ago
- AiiDA tutorials web site☆24Updated 8 months ago
- Crystal structure container and parsers for structure formats.☆35Updated 6 months ago
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 3 months ago
- Set of utilities for using Quantum-Espresso with ASE and ipython notebooks.☆12Updated 7 years ago
- AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 3 weeks ago
- More efficient and faster version of pyscal☆21Updated 2 months ago
- The official AiiDA plugin for Quantum ESPRESSO☆60Updated 3 weeks ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆31Updated 2 months ago
- Defect analysis modules for pymatgen☆48Updated last week
- Platform for materials scientists to contribute and disseminate their materials data through Materials Project☆37Updated last week
- Atomistic Manipulation Toolkit☆36Updated last month
- Core components of the pyiron integrated development environment (IDE) for computational materials science☆21Updated this week
- Building blocks for scientific data pipelines☆39Updated last week
- Data structures, algorithms, and parsing for crystallography☆49Updated 3 months ago