Updated 9 months ago
qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
Updated 9 months ago
nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
Scientific Software
Updated 9 months ago
Weave.jl
Weave.jl: Scientific Reports Using Julia - Published in JOSS (2017)
Scientific Software · Peer-reviewed
Updated 9 months ago
pytask
pytask is a workflow management system that facilitates reproducible data analyses.
Updated 9 months ago
2021-paper-jupyter-reproducible-workflows
Using Jupyter for reproducible scientific workflows