93 projects with the selected classifier
AiiDA Plugin for running optimization algorithms.
The official AiiDA plugin for NWChem
Package that defines common interfaces for workflows that are implemented in AiiDA for various quantum engines.
Package for the AiiDA SSSP workflow
AiiDA data plugin to manage gaussian datatypes (basis sets and pseudopotentials) as first-class citizens
AiiDA plugin interfacing with the Imperial College London cx1 HPC
AiiDA: an automated interactive infrastructure and database for computational science
Automated Ab-Initio Materials Modeling and Data Analysis Toolkit: Python library for pre-, post-processing and data management of ab-initio high-throughput workflows for computational materials science.
AiiDA plugin for the Gaussian quantum chemistry software.
AiiDA plugin for RASPA code
AiiDA plugin for CASTEP
AiiDA plugin for the Python-based Simulations of Chemistry Framework (PySCF).
AiiDA demo plugin that wraps the `diff` executable for computing the difference between two files.
The official AiiDA plugin for ASE.
AiiDA plugin to model SEI growth by population balance modeling
Simple statefile-driven task schedulers for AiiDA
AiiDA Python
The official AiiDA plugin for Phonopy
Translation layer for AiiDA-PyBigDFT
AiiDA Plugin for the Wannier90 code
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