pypi.org "ase" keyword
View the packages on the pypi.org package registry that are tagged with the "ase" keyword.
gdpx 0.0.10
Automate computational chemistry/materials sciance and machine learning interatomic potential tra...8 versions - Latest release: 8 months ago - 318 downloads last month - 66 stars on GitHub - 1 maintainer
pygame-aseprite-animation 0.0.7
Package that allows you to import and use .ase and .aseprite files in pygame6 versions - Latest release: over 3 years ago - 1 dependent repositories - 318 downloads last month - 11 stars on GitHub - 1 maintainer
Top 10.0% on pypi.org
4 versions - Latest release: 8 months ago - 3 dependent packages - 1 dependent repositories - 1.46 thousand downloads last month - 178 stars on GitHub - 2 maintainers
dftd4 3.7.0
Python API of the DFT-D4 project4 versions - Latest release: 8 months ago - 3 dependent packages - 1 dependent repositories - 1.46 thousand downloads last month - 178 stars on GitHub - 2 maintainers
ase-extension 0.4.0
An extension library to the Atomic Simulation Environment (ASE) package, written in Python and Rust5 versions - Latest release: 7 months ago - 4.32 thousand downloads last month - 0 stars on GitHub - 1 maintainer
latticefinder 1.1.2.4
This program is designed to give the lattice constants for a 3D crystal lattice or a 2D system, s...3 versions - Latest release: almost 4 years ago - 1 dependent repositories - 125 downloads last month - 0 stars on GitHub - 1 maintainer
pysktb 0.5.6
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian8 versions - Latest release: over 2 years ago - 320 downloads last month - 47 stars on GitHub - 1 maintainer
dftd3 1.2.1
Python API of the DFT-D3 project7 versions - Latest release: 5 months ago - 3 dependent packages - 1 dependent repositories - 4.16 thousand downloads last month - 64 stars on GitHub - 2 maintainers
atomistics 0.2.5
Interfaces for atomistic simulation codes and workflows49 versions - Latest release: 6 days ago - 4 dependent packages - 2.43 thousand downloads last month - 4 stars on GitHub - 2 maintainers
organisms 3.2.6
This program is designed to perform a genetic algorithm global optimisation for nanoclusters.8 versions - Latest release: about 4 years ago - 1 dependent repositories - 334 downloads last month - 7 stars on GitHub - 1 maintainer
ase-notebook 0.3.2
Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within th...3 versions - Latest release: about 5 years ago - 1 dependent package - 1 dependent repositories - 184 downloads last month - 30 stars on GitHub - 1 maintainer
flatgraphene 0.3.6
Generate mono and multilayer graphene geometries10 versions - Latest release: over 3 years ago - 1 dependent repositories - 195 downloads last month - 3 stars on GitHub - 1 maintainer
structuretoolkit 0.0.32
build, analyse and visualise atomistic structures for materials science32 versions - Latest release: 6 days ago - 3 dependent packages - 1.03 thousand downloads last month - 7 stars on GitHub - 2 maintainers
Top 6.7% on pypi.org
84 versions - Latest release: 4 months ago - 1 dependent package - 10 dependent repositories - 3.48 thousand downloads last month - 29 stars on GitHub - 1 maintainer
elastic 5.2.5
Extension for ASE to calculate elastic constants84 versions - Latest release: 4 months ago - 1 dependent package - 10 dependent repositories - 3.48 thousand downloads last month - 29 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: over 1 year ago - 1 dependent repositories - 184 downloads last month - 158 stars on GitHub - 1 maintainer
colourswatch 2022.0.1
Use this module to read, and write to a number of colour palette file formats14 versions - Latest release: about 3 years ago - 1 dependent package - 1 dependent repositories - 513 downloads last month - 3 stars on GitHub - 1 maintainer
Top 7.1% on pypi.org
57 versions - Latest release: over 1 year ago - 1 dependent package - 2 dependent repositories - 1.54 thousand downloads last month - 393 stars on GitHub - 5 maintainers
pyiron 0.5.2
pyiron - an integrated development environment (IDE) for computational materials science.57 versions - Latest release: over 1 year ago - 1 dependent package - 2 dependent repositories - 1.54 thousand downloads last month - 393 stars on GitHub - 5 maintainers
ase-quantumespresso 0.0.4
ASE Calculators for Quantum ESPRESSO4 versions - Latest release: 7 months ago - 195 downloads last month - 2 stars on GitHub - 1 maintainer
state-interface 1.1.0
ASE STATE interface4 versions - Latest release: about 2 years ago - 1 dependent repositories - 64 downloads last month - 0 stars on GitHub - 3 maintainers
deepmd-kit-cu11 3.0.2
A deep learning package for many-body potential energy representation and molecular dynamics14 versions - Latest release: about 2 months ago - 351 downloads last month - 1,612 stars on GitHub - 2 maintainers
Top 5.3% on pypi.org
59 versions - Latest release: about 2 months ago - 2 dependent packages - 2 dependent repositories - 5.78 thousand downloads last month - 1,612 stars on GitHub - 2 maintainers
deepmd-kit 3.0.2
A deep learning package for many-body potential energy representation and molecular dynamics59 versions - Latest release: about 2 months ago - 2 dependent packages - 2 dependent repositories - 5.78 thousand downloads last month - 1,612 stars on GitHub - 2 maintainers
raspa-ase 0.0.2
An ASE calculator for the RASPA molecular simulation package.2 versions - Latest release: 10 months ago - 44 downloads last month - 8 stars on GitHub - 1 maintainer
ramix 1.0.0
RaMix: A Python package for generating Raman Mixture Spectra1 version - Latest release: almost 4 years ago - 1 dependent repositories - 50 downloads last month - 19 stars on GitHub - 1 maintainer
maze-sim 0.1.1
Multiscale Zeolite Atomic simulation Environment (MAZE)2 versions - Latest release: almost 4 years ago - 1 dependent repositories - 185 downloads last month - 19 stars on GitHub - 1 maintainer
asesurfacefinder 1.0.5
Machine learned location of chemical adsorbates on high-symmetry surface sites.6 versions - Latest release: 22 days ago - 397 downloads last month - 2 stars on GitHub - 1 maintainer
structure2symmetry 0.1.0
A python package to extract symmetry information from structure files, including POSCAR, CIF, and...2 versions - Latest release: about 1 year ago - 51 downloads last month - 4 stars on GitHub - 1 maintainer
aspose-3d 25.3.0
Aspose.3D for Python via .NET is a cross-platform class library that enables your applications to...36 versions - Latest release: 18 days ago - 1 dependent package - 3.71 thousand downloads last month - 75 stars on GitHub - 2 maintainers
xespresso 1.5.5
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).16 versions - Latest release: almost 2 years ago - 1 dependent repositories - 494 downloads last month - 13 stars on GitHub - 1 maintainer
ipyatom 0.1.0
a package primarily for interfacing ase/pymatgen with ipyvolume/matplotlib2 versions - Latest release: almost 7 years ago - 1 dependent repositories - 31 downloads last month - 0 stars on GitHub - 1 maintainer
thunder-ase 0.9.3
ASE calculator interface for FIREBALL code25 versions - Latest release: 3 months ago - 487 downloads last month - 4 stars on GitHub - 1 maintainer
asedftk 0.2.7
DFTK-based calculator for ASE15 versions - Latest release: almost 4 years ago - 1 dependent repositories - 476 downloads last month - 2 stars on GitHub - 1 maintainer
aiida-ase 3.0.0
The official AiiDA plugin for ASE.4 versions - Latest release: over 1 year ago - 2 dependent packages - 503 downloads last month - 5 stars on GitHub - 2 maintainers
opengsq 3.3.0 💰
🐍 OpenGSQ - Python library for querying game servers39 versions - Latest release: 29 days ago - 1 dependent package - 2 dependent repositories - 1.32 thousand downloads last month - 22 stars on GitHub - 1 maintainer
adsorber 1.10
This program is designed to adsorb molecules to the surface of a cluster in all various ways..2 versions - Latest release: over 3 years ago - 167 downloads last month - 4 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 3 years ago - 57 downloads last month - 3 stars on GitHub - 1 maintainer
mk-blender-scr 1.0.8
Create a Python script for Blender from Atoms of ASE.1 version - Latest release: about 2 years ago - 35 downloads last month - 0 stars on GitHub - 1 maintainer
Related Keywords
python
12
lammps
5
molecular-dynamics
5
atomic-simulation-environment
5
dft
4
pymatgen
4
computational-chemistry
4
materials-science
4
physics
3
electronic-structure
3
quantum
3
otago-university
3
university-of-otago
3
pyiron
3
blender
3
atoms
3
zeolite
2
3d
2
molecule
2
science
2
deep-learning
2
atomic
2
cuda
2
atomistic
2
cpp
2
visualisation
2
c
2
deepmd
2
ab-initio
2
simulation
2
structure
2
quantum-espresso
2
workflows
2
chemistry
2
dispersion-correction
2
ASE
2
pyscf
2
qcschema
2
quantum-chemistry
2
tensorflow
2
ipi
2
jax
2
nodejs
2
paddle
2
potential-energy
2
jupyter-binder
2
rocm
2
pytorch
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asap3
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zeolites
1
simulations
1
amf
1
surface
1
cif
1
adsorbate
1
random forest
1
3mf
1
pdf
1
glb
1
gltf
1
html5
1
maya
1
jt
1
classification
1
rvm
1
dxf
1
x
1
u3d
1
fbx
1
dae
1
3ds
1
poscar
1
vrml
1
usd
1
usdz
1
spglib
1
symmetry
1
obj
1
atomistic-simulations
1
density-functional-theory
1
dftk
1
julia
1
aiida
1
asyncio
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doom3
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eos
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fivem
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game
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game-server-query
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gamespy
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opengsq
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server-query
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source
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teamspeak3
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condensed-matter-physics
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gw
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