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Username    leopold.talirz
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26 projects

aiida-diff

Last released

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

optimade

Last released

Tools for implementing and consuming OPTIMADE APIs.

aiidalab-widgets-base

Last released

Reusable widgets for AiiDAlab applications.

pgsu

Last released

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

aiida-core

Last released

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

aiidalab

Last released

Implements core functions of AiiDAlab.

aiida-cp2k

Last released

The official AiiDA plugin for CP2K.

aiida-quantumespresso

Last released

The official AiiDA plugin for Quantum ESPRESSO

reentry

Last released

A plugin manager based on setuptools entry points mechanism

aiida

Last released

AiiDA: an automated interactive infrastructure and database for computational science

lammps-interface

Last released

Automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs

aiida-ddec

Last released

AiiDA plugin for DDEC code

aiida-zeopp

Last released

AiiDA plugin for zeo++

cif2cell

Last released

Construct a unit cell from CIF data

aiida-lsmo

Last released

AiiDA workflows for the LSMO laboratory at EPFL

aiida-raspa

Last released

AiiDA plugin for RASPA code

aiida-export-migration-tests

Last released

Export archives for migration tests for AiiDA

pgtest

Last released

Creates a temporary, local PostgreSQL database cluster and server for unittesting, and cleans up after itself

calc-pe

Last released

Calculator for the CO2 parasitic energy from CO2 and N2 isotherms

jsmol-bokeh-extension

Last released

bokeh extension for jsmol

appmode-aiidalab

Last released

A Jupyter extensions that turns notebooks into web applications, with modifications for AiiDA lab.

aiida-qeq

Last released

AiiDA plugin for computing electronic charges on atoms using equilibration-type models (QEq, EQEq, ...).

idea-code

Last released

interacting Dynamic Electrons Approach

aiida-phtools

Last released

AiiDA plugin for persistence homology tools, used to analyze nanoporous materials.

aiida-gudhi

Last released

AiiDA plugin for the [GUDHI](http://gudhi.gforge.inria.fr/) library for topological data analysis.

aiida-plugin-template

Last released

AiiDA plugin template for testing and getting started with development

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