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Package Usage: pypi: jobflow

jobflow is a library for writing computational workflows
18 versions
Latest release: 6 months ago
4 dependent packages
1,402 downloads last month

View more package details: https://packages.ecosyste.ms/registries/pypi.org/packages/jobflow

Dependent Repos 23

materialsproject/reaction-network
Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).
  • >=0.1.8 pyproject.toml

Size: 69.2 MB - Last synced: 12 days ago - Pushed: 3 months ago

BlauGroup/NanoParticleTools
  • * setup.py

Size: 18.6 MB - Last synced: 5 months ago - Pushed: 5 months ago

sivonxay/NanoParticleTools Fork of BlauGroup/NanoParticleTools
  • * setup.py

Size: 18.6 MB - Last synced: 5 months ago - Pushed: 5 months ago

JaGeo/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 431 MB - Last synced: 15 days ago - Pushed: 16 days ago

007gzs/test
  • * requirements.txt

Size: 1.6 MB - Last synced: 5 months ago - Pushed: 5 months ago

mcgalcode/fw_helpers
Wee helper functions for using fireworks with jobflow
  • * pyproject.toml

Size: 4.88 KB - Last synced: 10 months ago - Pushed: 10 months ago

shdchen/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 309 MB - Last synced: 15 days ago - Pushed: 15 days ago

chiang-yuan/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 309 MB - Last synced: 17 days ago - Pushed: 18 days ago

CederGroupHub/WFacer
Modulated automation of cluster expansion based on atomate2 and Jobflow
  • ==0.1.11 binder/requirements.txt
  • * environment.yml
  • ==0.1.11 requirements.txt

Size: 4.1 MB - Last synced: 3 days ago - Pushed: 3 days ago

qchempku2017/WFacer Fork of CederGroupHub/WFacer
Modulated automation of cluster expansion based on atomate2 and Jobflow
  • ==0.1.11 binder/requirements.txt
  • ==0.1.11 requirements.txt
  • >=0.1.9 pyproject.toml

Size: 1.7 MB - Last synced: 8 months ago - Pushed: 8 months ago

wesleykchang/reaction-network Fork of materialsproject/reaction-network
Reaction Network is a Python package for predicting likely inorganic chemical reaction pathways using graph theoretical methods. Project led by @mattmcdermott (Lawrence Berkeley National Lab).
  • >=0.1.8 pyproject.toml

Size: 51.2 MB - Last synced: 9 months ago - Pushed: over 1 year ago

OmAximani0/quacc Fork of Quantum-Accelerators/quacc
quacc is a flexible and extensible platform for high-throughput computational materials science and quantum chemistry.
  • ==0.1.13 tests/requirements-jobflow.txt

Size: 50.3 MB - Last synced: 9 months ago - Pushed: 9 months ago

dgaines2/quacc Fork of Quantum-Accelerators/quacc
quacc is a flexible and extensible platform for high-throughput computational materials science and quantum chemistry.
  • ==0.1.13 tests/requirements-jobflow.txt

Size: 52.6 MB - Last synced: 9 months ago - Pushed: 9 months ago

jmmshn/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 567 MB - Last synced: 1 day ago - Pushed: 2 days ago

rdguha1995/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 299 MB - Last synced: 3 days ago - Pushed: 3 days ago

mjwen/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 303 MB - Last synced: 3 days ago - Pushed: 3 days ago

rkingsbury/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 315 MB - Last synced: 3 days ago - Pushed: 3 days ago

tpurcell90/atomate2-fhi-aims
  • >=0.1.11 pyproject.toml

Size: 1 MB - Last synced: 8 months ago - Pushed: 8 months ago

hrushikesh-s/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 303 MB - Last synced: 1 day ago - Pushed: 2 days ago

esoteric-ephemera/atomate2 Fork of materialsproject/atomate2
Modifications of atomate2 for MP flows
  • >=0.1.11 pyproject.toml

Size: 309 MB - Last synced: 10 days ago - Pushed: 10 days ago

tpurcell90/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 310 MB - Last synced: 8 days ago - Pushed: 8 days ago

gpetretto/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 317 MB - Last synced: 1 day ago - Pushed: 1 day ago

naik-aakash/atomate2 Fork of materialsproject/atomate2
atomate2 is a library of computational materials science workflows
  • >=0.1.11 pyproject.toml

Size: 323 MB - Last synced: 17 days ago - Pushed: 18 days ago

Quantum-Accelerators/quacc
quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.
  • ==0.1.15 tests/requirements-jobflow.txt

Size: 62.8 MB - Last synced: about 2 months ago - Pushed: about 2 months ago

Matgenix/jobflow-remote
jobflow-remote is a Python package to run jobflow workflows on remote resources.
  • * pyproject.toml

Size: 3.73 MB - Last synced: 28 days ago - Pushed: about 1 month ago

Matgenix/atomate2-turbomole
Workflows for Turbomole
  • >=0.1.11 pyproject.toml
  • ==0.1.17 requirements/requirements.txt

Size: 2.46 MB - Last synced: 1 day ago - Pushed: 3 days ago

wch3n/oer-db-tools
oer-db-tools
  • * requirements.txt
  • * setup.py

Size: 29.3 KB - Last synced: 12 days ago - Pushed: 13 days ago