18个项目
aiida-flexpart
AiiDA plugin for the FLEXPART code (simulation of atmospheric transport processes).
aiida-gaussian
AiiDA plugin for the Gaussian quantum chemistry software.
aiidalab-widgets-base
Reusable widgets for AiiDAlab applications.
aiidalab
Implements core functions of AiiDAlab.
aiida-core
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
ppafm
Classical force field model for simulating atomic force microscopy images.
aiidalab-eln
Package that integrates AiiDAlab with Electronic Laboratory Notebooks.
aiida-cp2k
The official AiiDA plugin for CP2K.
aiida-nanotech-empa
AiiDA plugins and workflows developed at nanotech@surfaces group from Empa.
aiidalab-launch
Tool to launch AiiDAlab on a local workstation.
aiida-ddec
AiiDA plugin for DDEC code
aiida-raspa
AiiDA plugin for RASPA code
igor-tools
Simple tools to manage IGOR Pro .itx files
aiida
AiiDA: an automated interactive infrastructure and database for computational science
aiidalab-vapory
3D rendering with Python and POV-Ray
aiida-lsmo
AiiDA workflows for the LSMO laboratory at EPFL
aiida-export-migration-tests
Export archives for migration tests for AiiDA
appmode-aiidalab
A Jupyter extensions that turns notebooks into web applications, with modifications for AiiDA lab.