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Search results for python aiida
aiida
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14 search results found
Aiida Core
⭐
392
The official repository for the AiiDA code
Aiida Quantumespresso
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52
The official AiiDA plugin for Quantum ESPRESSO
Aiida Common Workflows
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47
A repository for the implementation of common workflow interfaces across materials-science codes and plugins
Aiida Vasp
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42
A plugin to AiiDA for running simulations with VASP
Aiida Lammps
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20
LAMMPS plugin for AiiDA
Aiida Phonopy
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16
Phonon for AiiDA
Aiidalab
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14
Implements core functions for AiiDAlab.
Aiida Kkr
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13
AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calculations.
Plumpy
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9
A python workflows library that supports writing Processes with a well defined set of inputs and outputs that can be strung together.
Aiidalab Docker Stack
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9
Docker images with the basic software stack for AiiDAlab
Aiida Shell
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7
AiiDA plugin that makes running shell commands easy.
Aiida Castep
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6
Interface with AiiDA to automate CASTEP calculations and preserve their provenance.
Aiida Dataframe
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5
AiiDA data plugin for pandas DataFrame objects
Aiida Jutools
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5
Tools for simplifying daily work with the AiiDA workflow engine
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