pypi.org "pyiron" keyword
praeco 0.2.0
praeco - Interfaces for publishing workflow recipes, instances and related assets3 versions - Latest release: about 3 hours ago - 12 downloads last month - 2 stars on GitHub - 3 maintainers
Top 9.5% on pypi.org
240 versions - Latest release: about 7 hours ago - 9 dependent packages - 1 dependent repositories - 4.97 thousand downloads last month - 26 stars on GitHub - 5 maintainers
pyiron-base 0.15.21
Core components of the pyiron integrated development environment (IDE) for computational material...240 versions - Latest release: about 7 hours ago - 9 dependent packages - 1 dependent repositories - 4.97 thousand downloads last month - 26 stars on GitHub - 5 maintainers
executorlib 1.11.0
Up-scale python functions for high performance computing (HPC) with executorlib.53 versions - Latest release: 14 days ago - 3.98 thousand downloads last month - 78 stars on GitHub - 2 maintainers
pympipool 0.9.1
Scale serial and MPI-parallel python functions over hundreds of compute nodes all from within a j...47 versions - Latest release: over 2 years ago - 6 dependent packages - 678 downloads last month - 78 stars on GitHub - 2 maintainers
pyiron-contrib 0.1.19
Repository for user-generated plugins to the pyiron IDE.34 versions - Latest release: over 1 year ago - 1 dependent package - 1 dependent repositories - 286 downloads last month - 7 stars on GitHub - 5 maintainers
pyiron-gui 0.0.12
Repository for GUI plugins to the pyiron IDE.12 versions - Latest release: over 2 years ago - 1 dependent package - 1 dependent repositories - 89 downloads last month - 2 stars on GitHub - 4 maintainers
pyiron-experimental 0.0.3
Repository for experimental plugins to the pyiron IDE.4 versions - Latest release: almost 3 years ago - 1 dependent repositories - 18 downloads last month - 0 stars on GitHub - 5 maintainers
pyiron-gpl 0.0.5
pyiron - an integrated development environment (IDE) for computational materials science.5 versions - Latest release: over 2 years ago - 1 dependent repositories - 28 downloads last month - 0 stars on GitHub - 4 maintainers
pyiron-continuum 0.0.10
Repository for user-generated plugins to the pyiron IDE.10 versions - Latest release: almost 2 years ago - 1 dependent repositories - 23 downloads last month - 3 stars on GitHub - 5 maintainers
Top 8.8% on pypi.org
75 versions - Latest release: 5 days ago - 1 dependent package - 3 dependent repositories - 5.95 thousand downloads last month - 36 stars on GitHub - 2 maintainers
pysqa 1.1.3
Simple HPC queuing system adapter for Python on based jinja templates to automate the submission ...75 versions - Latest release: 5 days ago - 1 dependent package - 3 dependent repositories - 5.95 thousand downloads last month - 36 stars on GitHub - 2 maintainers
lammpsparser 0.1.2
Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or intera...13 versions - Latest release: 5 days ago - 449 downloads last month - 6 stars on GitHub - 1 maintainer
vaspparser 0.1.2
Parser for the Vienna Ab initio Simulation Package (VASP)15 versions - Latest release: 5 days ago - 471 downloads last month - 0 stars on GitHub - 1 maintainer
sim-atlas 0.0.19
Search and discovery platform for simulation nodes — Python functions and workflow definitions us...18 versions - Latest release: 5 days ago - 206 downloads last month - 1 maintainer
sim-atlas-toolkit 0.0.19
Tools for parsing and storing workflow nodes with support for pyiron and Python functions18 versions - Latest release: 5 days ago - 194 downloads last month - 1 maintainer
pyiron-dataclasses 0.0.14
Dataclasses for the pyiron workflow framework14 versions - Latest release: about 2 months ago - 938 downloads last month - 0 stars on GitHub - 2 maintainers
pyiron-snippets 1.5.1
pyiron_snippets - Short, dependency-free python snippets.16 versions - Latest release: 11 days ago - 2.92 thousand downloads last month - 0 stars on GitHub - 2 maintainers
semantikon 1.4.4
semantikon - Ontological type system37 versions - Latest release: about 1 month ago - 1.19 thousand downloads last month - 12 stars on GitHub - 3 maintainers
pyiron-workflow-atomistics 0.3.1
A pyiron module for atomistic simulation workflows14 versions - Latest release: 15 days ago - 56 downloads last month - 0 stars on GitHub - 1 maintainer
pylammpsmpi 0.6.0
Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python...74 versions - Latest release: 14 days ago - 4 dependent packages - 1 dependent repositories - 1.29 thousand downloads last month - 38 stars on GitHub - 3 maintainers
pyiron-workflow-lammps 0.2.0
A LAMMPS workflow integration package for pyiron7 versions - Latest release: 15 days ago - 7 downloads last month - 0 stars on GitHub - 1 maintainer
pyiron-workflow 0.20.3
pyiron_workflow - Graph-and-node based workflow tools.55 versions - Latest release: about 1 month ago - 1.22 thousand downloads last month - 23 stars on GitHub - 2 maintainers
structuretoolkit 0.1.0
build, analyse and visualise atomistic structures for materials science49 versions - Latest release: 14 days ago - 3 dependent packages - 2.01 thousand downloads last month - 8 stars on GitHub - 2 maintainers
pyfileindex 0.2.3
pyfileindex - pythonic file system index60 versions - Latest release: about 2 months ago - 1 dependent package - 2 dependent repositories - 3.47 thousand downloads last month - 9 stars on GitHub - 3 maintainers
Top 9.5% on pypi.org
166 versions - Latest release: 2 months ago - 8 dependent packages - 1 dependent repositories - 1.19 thousand downloads last month - 55 stars on GitHub - 5 maintainers
pyiron-atomistics 0.8.12
An interface to atomistic simulation codes including but not limited to GPAW, LAMMPS, S/Phi/nX an...166 versions - Latest release: 2 months ago - 8 dependent packages - 1 dependent repositories - 1.19 thousand downloads last month - 55 stars on GitHub - 5 maintainers
bagofholding 0.1.16
bagofholding - browsable, partially-reloadable serialization for pickleable python objects.20 versions - Latest release: 28 days ago - 1.19 thousand downloads last month - 4 stars on GitHub - 2 maintainers
atomistics 0.4.0
Interfaces for atomistic simulation codes and workflows61 versions - Latest release: 13 days ago - 4 dependent packages - 1.43 thousand downloads last month - 10 stars on GitHub - 2 maintainers
flowrep 0.6.7
flowrep - Your premier tool for workflow representations28 versions - Latest release: about 1 month ago - 1.32 thousand downloads last month - 3 stars on GitHub - 2 maintainers
pyiron-workflow-vasp 0.2.1
A VASP workflow integration package for pyiron3 versions - Latest release: 16 days ago - 5 downloads last month - 0 stars on GitHub - 1 maintainer
pothenon 0.0.4
pothenon - dependency parser for python functions3 versions - Latest release: about 2 months ago - 129 downloads last month - 0 stars on GitHub - 1 maintainer
pyironflow 0.1.4
react xyflow for pyiron28 versions - Latest release: about 1 month ago - 477 downloads last month - 8 stars on GitHub - 2 maintainers
elaston 0.0.3
Elaston - linear elasticity toolbox2 versions - Latest release: about 1 month ago - 128 downloads last month - 0 stars on GitHub - 2 maintainers
Top 7.1% on pypi.org
57 versions - Latest release: almost 3 years ago - 1 dependent package - 2 dependent repositories - 299 downloads last month - 467 stars on GitHub - 5 maintainers
pyiron 0.5.2
pyiron - an integrated development environment (IDE) for computational materials science.57 versions - Latest release: almost 3 years ago - 1 dependent package - 2 dependent repositories - 299 downloads last month - 467 stars on GitHub - 5 maintainers
pyiron-potentialfit 0.3.15
Repository for user-generated plugins to the pyiron IDE.19 versions - Latest release: 12 months ago - 58 downloads last month - 7 stars on GitHub - 2 maintainers
sphinx-parser 0.1.11
sphinx_parser - Your pyiron-like module.14 versions - Latest release: about 2 months ago - 451 downloads last month - 3 stars on GitHub - 2 maintainers
pyiron-vasp 0.2.19
Parser for the Vienna Ab initio Simulation Package (VASP)19 versions - Latest release: 10 months ago - 338 downloads last month - 0 stars on GitHub - 2 maintainers
executorlib-core 0.0.1
Library to develop your own concurrent.futures.Executor classes.1 version - Latest release: over 2 years ago - 38 downloads last month - 0 stars on GitHub - 1 maintainer
pyiron-ontology 0.2.8
pyiron_ontology - module extension to pyiron.9 versions - Latest release: over 1 year ago - 1 dependent package - 102 downloads last month - 4 stars on GitHub - 2 maintainers
pyiron-lammps 0.5.4
Vector-oriented LAMMPS interface to rapidly iterate over series of atomistic structures or intera...34 versions - Latest release: 9 months ago - 646 downloads last month - 6 stars on GitHub - 2 maintainers
ironflow 0.1.0
ironflow - A visual scripting interface for pyiron.9 versions - Latest release: over 2 years ago - 36 downloads last month - 25 stars on GitHub - 2 maintainers
Related Keywords
python
8
lammps
6
dft
5
materials-science
4
molecular-dynamics
4
workflow
4
mpi4py
3
slurm
3
hpc
3
vasp
3
ase
3
multiprocessing
2
mpi
2
parallel-computing
2
hpc-cluster
2
gpu
2
flux
2
scientific-computing
2
distributed-computing
2
task-scheduler
2
concurrent-futures
2
development-environment
1
siesta
1
concurrent.futures
1
distributed computing
1
executor
1
flux-framework
1
high performance computing
1
parallel computing
1
scientific computing
1
task scheduler
1
atomistics
1
gaussian
1
filesystem
1
monitoring
1
atomistic
1
dask-distributed
1
lammps-python-interface
1
openmpi
1
hdf5
1
ide
1
simulation
1
ab-initio
1
tem
1
workflow-management
1
workflow-engine
1
workflow-automation
1
torque
1
sge
1
queue-manager
1
moab
1
lsf
1
parser
1
abinit
1
gpaw
1
quantum-espresso
1