Ecosyste.ms: Repos
An open API service providing repository metadata for many open source software ecosystems.
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
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