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50No description provided.
A Python wrapper around calamine
AiiDA plugin for the Hubbard module of Quantum ESPRESSO
No description provided.
Interactive comparison of the same quantum espresso workflow implemented in Aiida, jobflow, pyiron and simstack.
A conda-smithy repository for pgsu.
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Sphinx extension for documenting SQLAlchemy ORMs
A clean, three-column Sphinx theme with Bootstrap for the PyData community
Phonon for AiiDA
PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.
A conda-smithy repository for disk-objectstore.
Open-source library for analyzing the results produced by ABINIT
A conda-smithy repository for aiida-quantumespresso.
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Configuration file support for Click applications
AiiDA plugin for Gaussian quantum chemistry software
LAMMPS plugin for AiiDA
A pytest plugin for regression testing and regenerating Jupyter Notebooks
A conda-smithy repository for aiida-core.
AiiDA Plugin for ORCA
A conda-smithy repository for aiida-pseudo.
No description provided.
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Python library for RO-Crate
The official repository for the AiiDA code
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