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Username    sphuber
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15 projects

aiida-core

Last released

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

aiida-quantumespresso

Last released

The official AiiDA plugin for Quantum ESPRESSO

aiida-pseudo

Last released

AiiDA plugin that simplifies working with pseudo potentials

aiida-sssp

Last released

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

plumpy

Last released

A python workflow library

aiida-nwchem

Last released

The official AiiDA plugin for NWChem

aiida-common-workflows

Last released

AiiDA package with utilities and interfaces for common workflows.

qe-tools

Last released

A set of useful tools to manage Quantum ESPRESSO files

pgsu

Last released

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

kiwipy

Last released

Robust, high-volume, message based communication made easy

aiida-diff

Last released

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

aiida-codtools

Last released

The official AiiDA plugin for cod-tools

aiida-export-migration-tests

Last released

Export archives for migration tests for AiiDA

aiida

Last released

AiiDA: an automated interactive infrastructure and database for computational science

aiida-ase

Last released

The official AiiDA plugin for ASE

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