Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
conda-forge.org "vasp" keyword
atomsk 0.11.2
Atomsk is an Open Source command-line program dedicated to the creation, manipulation, and conver...8 versions - Latest release: over 2 years ago - 129 stars on GitHub
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
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
ifermi 0.3.1
IFermi is a Python (3.6+) library and set of command-line tools for the generation, analysis, and...3 versions - Latest release: over 1 year ago - 54 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
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
dynaphopy 1.17.13
Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) usin...16 versions - Latest release: almost 2 years ago - 1 dependent package - 77 stars on GitHub
aiida-vasp 2.1.1
A plugin to AiiDA for running simulations with VASP1 version - Latest release: almost 2 years ago - 42 stars on GitHub
Related Keywords
dft
5
lammps
4
materials-science
3
siesta
2
python
2
gulp
2
atomistic-simulations
2
ab-initio
2
density-functional-theory
1
geometry
1
graphene
1
condensed-matter
1
bigdft
1
negf
1
physics
1
solid-state
1
solid-state-physics
1
high-throughput
1
tbtrans
1
atomeye
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tight-binding
1
transiesta
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wannier90
1
abinit
1
band-unfolder
1
bandstructure
1
elk
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fermi-surfaces
1
anharmonicity
1
molecular-dynamics
1
phonon
1
phonopy
1
aiida
1
aiida-vasp
1
atomic-design
1
cheminformatics
1
cif
1
crystal-builder
1
dislocation
1
file-conversion
1
open-source
1
ovito
1
physics-simulation
1
polycrystal
1
quantum-espresso
1
science
1
gaussian
1
pyiron
1
ai
1
materials-informatics
1
md
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mgi
1
pytorch
1
quantum-computing
1
scikit-learn
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tensorflow
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fermi-slice
1
fermi-surface
1
automation
1