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pytask-dev
pytask

pytask is a workflow management system that facilitates reproducible data analyses.

11K 139 13
Spinmob
spinmob

Rapid and flexible acquisition, analysis, fitting, and plotting in Python. Designed for scientific laboratories.

3K 41 14
SCM-NV
qmflows

Automation of computations in quantum chemistry.

1K 53 10
showyourwork
showyourwork

A workflow for reproducible and open scientific articles

1K 642 56
wfcommons
wfcommons

A Framework for Enabling Scientific Workflow Research and Education

757 44 14
SCM-NV
nano-qmflows

Derivative coupling calculation

730 12 11
nlesc-nano
nlesc-cat

A collection of tools designed for the automatic construction of chemical compounds.

480 20 2
pharmbio
sciluigi

A light-weight wrapper library around Spotify's Luigi workflow library to make writing scientific workflows more fluent, flexible and modular

353 334 56
kyrylo-gr
dh5

Dictionary H5 — package that enables the seamless manipulation of HDF5 files, treating them like traditional dictionaries.

223 1 0
chamibuddhika
kisseru

Script your pipelines...

177 4 1
workflowhub
workflowhub

WFCommons: A Framework for Enabling Scientific Workflow Research and Development

85 45 14
dhruv1110
rexf

A lightweight Python library for reproducible computational experiments with an ultra-simple, smart API. From idea to insight in under 5 minutes, with zero configuration.

68 2 0
wrench-project
wrench-api

WRENCH's Python API

26 1 0