24个项目
aiida-shell
AiiDA plugin that makes running shell commands easy.
aiida-core
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
plumpy
A Python workflow library.
pgsu
Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.
aiida-quantumespresso
The official AiiDA plugin for Quantum ESPRESSO
aiida-vasp
AiiDA plugin for running VASP calculations and workflows.
qe-tools
A set of useful tools to manage Quantum ESPRESSO files.
kiwipy
Robust, high-volume, message based communication made easy.
aiida-pyscf
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
aiida-pseudo
AiiDA plugin that simplifies working with pseudo potentials.
aiida-wien2k
The official AiiDA plugin for WIEN2k.
aiida-ase
The official AiiDA plugin for ASE.
aiida-abinit
The AiiDA plugin for ABINIT.
aiida-common-workflows
Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.
aiida-nwchem
The official AiiDA plugin for NWChem
parsevasp
A general parser for VASP
aiida-s3
AiiDA plugin that provides a storage backend using an S3 object store as the file repository.
aiida-codtools
The Official AiiDA plugin for the cod-tools package.
circus
Circus is a program that will let you run and watch multiple processes and sockets.
aiida-diff
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
biblary
A Django application to provide a bibliography based on a bibtex library.
aiida
AiiDA: an automated interactive infrastructure and database for computational science
aiida-sssp
AiiDA plugin for the Standard Solid State Pseudopotential (SSSP) library
aiida-export-migration-tests
Export archives for migration tests for AiiDA