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Username    sphuber
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24 projects

aiida-core

Last released

AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.

pgsu

Last released

Connect to an existing PostgreSQL cluster as the `postgres` superuser and execute SQL commands.

aiida-shell

Last released

AiiDA plugin that makes running shell commands easy.

aiida-quantumespresso

Last released

The official AiiDA plugin for Quantum ESPRESSO

aiida-vasp

Last released

AiiDA plugin for running VASP calculations and workflows.

qe-tools

Last released

A set of useful tools to manage Quantum ESPRESSO files.

plumpy

Last released

A Python workflow library.

kiwipy

Last released

Robust, high-volume, message based communication made easy.

aiida-pyscf

Last released

AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).

aiida-pseudo

Last released

AiiDA plugin that simplifies working with pseudo potentials.

aiida-wien2k

Last released

The official AiiDA plugin for WIEN2k.

aiida-ase

Last released

The official AiiDA plugin for ASE.

aiida-abinit

Last released

The AiiDA plugin for ABINIT.

aiida-common-workflows

Last released

Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.

aiida-nwchem

Last released

The official AiiDA plugin for NWChem

parsevasp

Last released

A general parser for VASP

aiida-s3

Last released

AiiDA plugin that provides a storage backend using an S3 object store as the file repository.

aiida-codtools

Last released

The Official AiiDA plugin for the cod-tools package.

circus

Last released

Circus is a program that will let you run and watch multiple processes and sockets.

aiida-diff

Last released

AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.

biblary

Last released

A Django application to provide a bibliography based on a bibtex library.

aiida

Last released

AiiDA: an automated interactive infrastructure and database for computational science

aiida-sssp

Last released

AiiDA plugin for the Standard Solid State Pseudopotential (SSSP) library

aiida-export-migration-tests

Last released

Export archives for migration tests for AiiDA

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