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Username    leopold.talirz
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27 projects

lammps-interface

Last released

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

aiidalab-widgets-base

Last released

aiida-core

Last released

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

aiida-zeopp

Last released

AiiDA plugin for zeo++

aiida-quantumespresso

Last released

The official AiiDA plugin for Quantum ESPRESSO

aiidalab

Last released

Meta package for the AiiDAlab python environment.

optimade

Last released

Tools for implementing and consuming OPTIMADE APIs.

pgsu

Last released

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

cif2cell

Last released

Construct a unit cell from CIF data

aiida-cp2k

Last released

The official AiiDA plugin for CP2K.

reentry

Last released

A plugin manager based on setuptools entry points mechanism

aiida-ddec

Last released

AiiDA plugin for DDEC code

aiida-lsmo

Last released

AiiDA workflows for the LSMO laboratory at EPFL

aiida-raspa

Last released

AiiDA plugin for RASPA code

aiida-diff

Last released

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

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

aiida

Last released

AiiDA: an automated interactive infrastructure and database for computational science

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-widgets

Last released

AiiDA widgets for the [AiiDA Lab](aiidalab.materialscloud.org).

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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