Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
pypi.org "pymatgen" keyword
Top 9.9% on pypi.org
36 versions - Latest release: 24 days ago - 1 dependent package - 1 dependent repositories - 2.8 thousand downloads last month - 62 stars on GitHub - 1 maintainer
doped 2.4.2
Python package to setup, process and analyse solid-state defect calculations with VASP36 versions - Latest release: 24 days ago - 1 dependent package - 1 dependent repositories - 2.8 thousand downloads last month - 62 stars on GitHub - 1 maintainer
Top 10.0% on pypi.org
40 versions - Latest release: over 1 year ago - 2 dependent packages - 1 dependent repositories - 1.86 thousand downloads last month - 65 stars on GitHub - 2 maintainers
shakenbreak 24.1.7
Package to generate and analyse distorted defect structures, in order to identify ground-state an...40 versions - Latest release: over 1 year ago - 2 dependent packages - 1 dependent repositories - 1.86 thousand downloads last month - 65 stars on GitHub - 2 maintainers
Top 8.6% on pypi.org
14 versions - Latest release: 4 months ago - 1 dependent package - 4 dependent repositories - 406 downloads last month - 74 stars on GitHub - 2 maintainers
ifermi 0.3.4
Fermi surface plotting tool from DFT output14 versions - Latest release: 4 months ago - 1 dependent package - 4 dependent repositories - 406 downloads last month - 74 stars on GitHub - 2 maintainers
structuregraph-helpers 0.0.9
Utilities for working with structure graphs9 versions - Latest release: almost 2 years ago - 3 dependent packages - 108 downloads last month - 9 stars on GitHub - 1 maintainer
Top 6.2% on pypi.org
15 versions - Latest release: 3 months ago - 3 dependent packages - 3 dependent repositories - 1.55 thousand downloads last month - 108 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 - 1.55 thousand downloads last month - 108 stars on GitHub - 1 maintainer
ipyatom 0.1.0
a package primarily for interfacing ase/pymatgen with ipyvolume/matplotlib2 versions - Latest release: about 6 years ago - 1 dependent repositories - 26 downloads last month - 0 stars on GitHub - 1 maintainer
mp-pyrho 0.4.4
Tools for re-griding periodic volumetric quantum chemistry data for machine-learning purposes.22 versions - Latest release: 3 months ago - 3 dependent packages - 1 dependent repositories - 5.69 thousand downloads last month - 34 stars on GitHub - 1 maintainer
Top 5.1% on pypi.org
6 versions - Latest release: about 1 year ago - 2 dependent packages - 8 dependent repositories - 1.5 thousand downloads last month - 2 maintainers
pymatgen-analysis-alloys 0.0.6
A pymatgen add-on library with classes useful for describing alloy (disordered) systems.6 versions - Latest release: about 1 year ago - 2 dependent packages - 8 dependent repositories - 1.5 thousand downloads last month - 2 maintainers
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
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
pymatgen-lammps 0.5.1
A LAMMPS wrapper using pymatgen26 versions - Latest release: almost 5 years ago - 1 dependent repositories - 151 downloads last month - 6 stars on GitHub - 1 maintainer
sumo2 2.3.9
Heavy weight plotting tools for ab initio solid-state calculations3 versions - Latest release: about 2 months ago - 233 downloads last month - 175 stars on GitHub - 1 maintainer
batoms 2.4.0
A Python package for creating, editing and rendering atoms and molecules structures using Blender.5 versions - Latest release: 7 months ago - 1 dependent repositories - 60 downloads last month - 123 stars on GitHub - 1 maintainer
Top 4.6% on pypi.org
37 versions - Latest release: 5 months ago - 3 dependent packages - 10 dependent repositories - 1.7 thousand downloads last month - 176 stars on GitHub - 2 maintainers
sumo 2.3.8
Heavy weight plotting tools for ab initio solid-state calculations37 versions - Latest release: 5 months ago - 3 dependent packages - 10 dependent repositories - 1.7 thousand downloads last month - 176 stars on GitHub - 2 maintainers
pymatgen-io-fleur 0.5.0
A pymatgen add-on for IO for the fleur code.8 versions - Latest release: about 1 year ago - 2 dependent repositories - 73 downloads last month - 3 stars on GitHub - 1 maintainer
abiflows 0.6
Framework for high-throughput calculations with ABINIT2 versions - Latest release: about 4 years ago - 70 downloads last month - 4 stars on GitHub - 1 maintainer
pymatgen-ext-matproj 0.0.2 removed
This addon to pymatgen provides access to both the updated and legacy Materials Project API clients.2 versions - Latest release: almost 2 years ago
Related Keywords
dft
8
python
7
vasp
6
materials-science
5
ab-initio
4
computational-chemistry
4
electronic-structure
4
chemistry
4
ase
3
physics
3
band
3
materials-informatics
3
density-function-theory
2
ABINIT
2
first-principles
2
dos
2
defects
2
plotting
2
science
2
computational-materials-science
2
materials
2
atoms
2
point-defects
2
semiconductors
2
quantum
1
slater-koster
1
pysktb
1
hamiltonian
1
electronic-structure-calculations
1
tight-binding
1
topological-insulator
1
topological-insulators
1
topology
1
atomic-simulation-environment
1
condensed
1
computational-physics
1
condensed-matter-physics
1
gw
1
qsgw
1
questaal
1
lammps
1
wrapper
1
3d
1
atomic
1
blender
1
crystal
1
molecule
1
protein
1
rendering
1
ribbon-diagram
1
fleur
1
shakenbreak
1
transition-levels
1
fermi-level
1
structure-searching
1
distortions
1
symmetry-breaking
1
materials-design
1
doping
1
python3
1
fermi-surface
1
defect-thermodynamics
1
fermi-slice
1
structuregraph
1
graph
1
crystallography
1
structure
1
structure-graph
1
defect-levels
1
abinit
1
density-functional-theory
1
defect-formation-energy
1
defect-calculation
1
solid-state-physics
1
ipyvolume
1
molecules
1
visualisation
1
machine-learning
1
volumetric
1
band-structure
1