Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "electronic-structure" keyword
pysktb 0.5.6
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian8 versions - Latest release: over 1 year ago - 76 downloads last month - 44 stars on GitHub - 1 maintainer
Top 6.2% on pypi.org
15 versions - Latest release: 3 months ago - 3 dependent packages - 3 dependent repositories - 1.51 thousand downloads last month - 107 stars on GitHub - 1 maintainer
abipy 0.9.7
Python package to automate ABINIT calculations and analyze the results.15 versions - Latest release: 3 months ago - 3 dependent packages - 3 dependent repositories - 1.51 thousand downloads last month - 107 stars on GitHub - 1 maintainer
pyquestaal 0.2.3
Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure pr...3 versions - Latest release: almost 2 years ago - 17 downloads last month - 3 stars on GitHub - 1 maintainer
vise 0.9.0
Package for handling io of vasp package in kumagai group at IMR, Tohoku university51 versions - Latest release: about 2 months ago - 2 dependent packages - 1 dependent repositories - 1.84 thousand downloads last month - 17 stars on GitHub - 1 maintainer
koopmans 1.0.0
Koopmans spectral functional calculations with python and Quantum ESPRESSO6 versions - Latest release: 9 months ago - 1 dependent package - 52 downloads last month - 12 stars on GitHub - 3 maintainers
materials-learning-algorithms 1.2.1
Materials Learning Algorithms. A framework for machine learning materials properties from first-p...3 versions - Latest release: 4 months ago - 1 dependent repositories - 43 downloads last month - 77 stars on GitHub - 2 maintainers
widget-bandsplot 1.0.0
React component for visualizing band structures and density of states.31 versions - Latest release: over 1 year ago - 2 dependent repositories - 398 downloads last month - 0 stars on GitHub - 3 maintainers
theodore 2.5.0
Theoretical Density, Orbital Relaxation and Exciton analysis5 versions - Latest release: almost 3 years ago - 1 dependent repositories - 36 downloads last month - 28 stars on GitHub - 2 maintainers
python-vasp 0.2.0
Yet another vasp parser, but unit tested4 versions - Latest release: almost 5 years ago - 1 dependent repositories - 20 downloads last month - 1 stars on GitHub - 1 maintainer
Top 9.1% on pypi.org
10 versions - Latest release: over 3 years ago - 9 dependent repositories - 158 downloads last month - 78 stars on GitHub - 6 maintainers
openfermionpsi4 0.5
A plugin allowing OpenFermion to interface with Psi4.10 versions - Latest release: over 3 years ago - 9 dependent repositories - 158 downloads last month - 78 stars on GitHub - 6 maintainers
openfermionprojectq 0.2
A plugin allowing OpenFermion to interaface with ProjectQ.9 versions - Latest release: about 6 years ago - 1 dependent repositories - 39 downloads last month - 57 stars on GitHub - 2 maintainers
Top 2.5% on pypi.org
10 versions - Latest release: over 3 years ago - 7 dependent packages - 26 dependent repositories - 13.8 thousand downloads last month - 103 stars on GitHub - 7 maintainers
openfermionpyscf 0.5
A plugin allowing OpenFermion to interface with PySCF.10 versions - Latest release: over 3 years ago - 7 dependent packages - 26 dependent repositories - 13.8 thousand downloads last month - 103 stars on GitHub - 7 maintainers
Top 9.2% on pypi.org
11 versions - Latest release: about 4 years ago - 5 dependent repositories - 94 downloads last month - 272 stars on GitHub - 5 maintainers
openfermioncirq 0.4.0
Quantum circuits for simulations of quantum chemistry and materials.11 versions - Latest release: about 4 years ago - 5 dependent repositories - 94 downloads last month - 272 stars on GitHub - 5 maintainers
nano-net 1.3.12
Python framework for tight-binding computations15 versions - Latest release: 8 months ago - 1 dependent repositories - 127 downloads last month - 28 stars on GitHub - 1 maintainer
Top 9.4% on pypi.org
65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
masci-tools 0.15.0
masci-tools is a collection of tools for materials science.65 versions - Latest release: about 1 year ago - 4 dependent packages - 4 dependent repositories - 804 downloads last month - 16 stars on GitHub - 3 maintainers
look4bas 0.3.1
Search for Gaussian basis sets11 versions - Latest release: about 5 years ago - 1 dependent repositories - 110 downloads last month - 5 stars on GitHub - 1 maintainer
atomec 1.4.0
KS-DFT average-atom code5 versions - Latest release: 6 months ago - 1 dependent repositories - 48 downloads last month - 17 stars on GitHub - 2 maintainers
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: almost 3 years ago - 1 dependent repositories - 174 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-kkr 2.1.0
AiiDA plugin for the JuKKR codes28 versions - Latest release: 6 months ago - 1 dependent repositories - 532 downloads last month - 14 stars on GitHub - 1 maintainer
aiida-fleur 2.0.0
AiiDA Plugin for running the FLEUR code and its input generator. Also includes high-level workcha...15 versions - Latest release: about 1 year ago - 2 dependent packages - 1 dependent repositories - 266 downloads last month - 13 stars on GitHub - 2 maintainers
abiflows 0.6
Framework for high-throughput calculations with ABINIT2 versions - Latest release: almost 4 years ago - 70 downloads last month - 4 stars on GitHub - 1 maintainer
tightbinder 0.2.1
Slater-Koster tight-binding library for crystalline and disordered solids5 versions - Latest release: 4 months ago - 30 downloads last month - 11 stars on GitHub - 1 maintainer
pyqula 0.0.70
Python library for quantum lattice tight binding models69 versions - Latest release: 2 months ago - 1 dependent repositories - 455 downloads last month - 64 stars on GitHub - 1 maintainer
easyunfold 0.3.6
Collection of code for band unfolding10 versions - Latest release: about 2 months ago - 1 dependent package - 1.47 thousand downloads last month - 33 stars on GitHub - 1 maintainer
Related Keywords
density-functional-theory
7
dft
7
quantum-chemistry
6
ab-initio
6
physics
6
band-structure
6
python
5
condensed-matter-physics
4
pymatgen
4
computational-materials-science
4
tight-binding
4
quantum-algorithms
4
quantum-computing
4
vasp
3
disorder
3
magnetism
3
quantum-programming-language
3
aiida
3
all-electron
3
forschungszentrum-juelich
3
judft
3
high-throughput
3
quantum
3
topology
3
simulation
2
defects
2
full-potential
2
density-of-states
2
slater-koster
2
topological-insulator
2
superconductivity
2
workflow
2
material science
2
chemistry
2
ABINIT
2
density-function-theory
2
symmetry-breaking
2
ase
2
solid-state-physics
2
first-principles
2
science
2
materials-informatics
2
band-structure-unfolding
1
computational-chemistry
1
multiple-scattering
1
condensed
1
greens-functions
1
unfolding
1
coherent-potential-approximation
1
kkr
1
julia
1
dftk
1
atomistic-simulations
1
DFTK
1
ASE
1
analysis
1
pseudopotential
1
structure
1
electronic
1
materials
1
mean-field-theory
1
interactions
1
heavy-fermions
1
fermi-surface
1
computational-physics
1
dft-fit
1
alloys
1
amorphous
1
electronic structure
1
spintronics
1
plane-wave
1
moire-pattern
1
kohn-sham
1
juelich
1
flapw
1
workflows
1
non-collinear-magnetism
1
inpgen
1
quantum-transport
1
spectral-functions
1
fleur
1
spin-textures
1
quantum-chemistry-programs
1
parsers
1
wavefunction-visualisation
1
theodore
1
widget
1
phonons
1
osscar
1
jupyterlab
1
jupyter
1
anywidget
1
neural-network
1
machine-learning
1
quantum-espresso
1
koopmans-functionals
1
vasp-processing
1
vasp-calculations
1
python3
1
questaal
1