Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "dft" keyword
pyiron_atomistics 0.2.59
pyiron was initially developed in the Computational Materials Design department of Joerg Neugebau...60 versions - Latest release: over 1 year ago - 5 dependent packages - 21 dependent repositories - 23 stars on GitHub
pyiron_contrib 0.1.5
Repository for user-generated plugins to the pyiron IDE.20 versions - Latest release: almost 2 years ago - 6 dependent repositories - 6 stars on GitHub
quacc 0.0.2
A platform to enable high-throughput, database-driven quantum chemistry and computational materia...1 version - Latest release: about 2 years ago - 26 stars on GitHub
aiida-orca 0.5.1
AiiDA Plugin for ORCA1 version - Latest release: almost 2 years ago - 6 stars on GitHub
xcfun 2.1.1
XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives3 versions - Latest release: over 3 years ago - 2 dependent packages - 50 stars on GitHub
dbstep 1.0.0
DBSTEP: DFT-based Steric Parameters - python-based tool to extract molecular shape and steric des...1 version - Latest release: about 2 years ago - 28 stars on GitHub
aiida-fleur 1.3.1
Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw....1 version - Latest release: almost 2 years ago - 2 dependent packages - 12 stars on GitHub
aiida-fleur.code 1.3.1
Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw....1 version - Latest release: almost 2 years ago - 1 dependent package - 12 stars on GitHub
aiida-fleur.meta 1.3.1
Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw....1 version - Latest release: almost 2 years ago - 12 stars on GitHub
jarvis-tools 2022.9.16
NIST-JARVIS (Joint Automated Repository for Various Integrated Simulations) is an integrated fram...37 versions - Latest release: over 1 year ago - 1 dependent package - 272 stars on GitHub
atomate2 0.0.8
atomate2 is a library of computational materials science workflows3 versions - Latest release: over 1 year ago - 1 dependent package - 63 stars on GitHub
sisl 0.12.2 💰
sisl is a tool to manipulate density functional theory code input and/or output. It also implemen...11 versions - Latest release: about 2 years ago - 1 dependent package - 1 dependent repositories - 136 stars on GitHub
pseudo_dojo 0.3
PseudoDojo is an open-source Python framework for generating and validating pseudopotentials. It ...1 version - Latest release: almost 4 years ago - 1 dependent repositories - 36 stars on GitHub
pyprocar 5.6.6
PyProcar is a robust, open-source Python library used for pre- and post-processing of the electro...14 versions - Latest release: about 2 years ago - 2 dependent repositories - 131 stars on GitHub
pyiron_gpl 0.0.3
Additional modules for the pyiron IDE licensed under GPLv33 versions - Latest release: about 3 years ago - 3 dependent repositories - 0 stars on GitHub
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