@signacdata

signac is an open-source #Python framework supporting researchers in managing data and automating workflows. https://xitter.cf/t.co/hRGEpazrXP

signac.readthedocs.io/
Joined June 2019
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.@PlaysForDays explains how his research workflows changed with the signac framework:
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Thanks @NumFOCUS for featuring the signac 2.0 release in the April newsletter! numfocus.salsalabs.org/numfo…
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signac 2.0.0 has been released! To learn more, read our blog post and the changelog: - signac.io/development/2023/0… - github.com/glotzerlab/signac… Companion releases of signac-flow 0.25.0 and signac-dashboard 0.5.0 are also available to support signac 2.0.0.
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Thanks to the signac developer community and project maintainers who have made this possible! The API has been streamlined and over 10,000 lines of unused code were removed. 🎉
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It's new paper day! MoSDeF-GOMC simplifies input file generation with @mosdef_hub (MoSDeF) for @GPUMonteCarlo (GOMC), and also provides support for complex workflows with @signacdata. Also a great resource for teaching Monte Carlo simulation. pubs.acs.org/doi/10.1021/acs…

MoSDeF-GOMC: Python Software for the Creation of Scientific Workflows for the Monte Carlo Simulat...

Abstract. MoSDeF-GOMC is a python interface for the Monte Carlo software GOMC to the Molecular Simulation Design Framework (MoSDeF) ecosystem. MoSDeF-GOMC

pubs.acs.org
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Replying to @Andrew_S_Rosen @johnkitchin @signacdata
There was a bit of a learning curve for us to get up and running with signac, but now that we use it, it's hard to imaging not using it.
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The Google Summer of Code contributor application period is open! If you are interested in applying, check out the signac project ideas list and assemble your applications! github.com/glotzerlab/signac… 1/

GSoC 2022 Projects

Manage large and heterogeneous data spaces on the file system. - glotzerlab/signac

github.com
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Why work with @signacdata for #GSoC2022? - Learn to automate and scale computational workflows from laptops to the world's largest supercomputers - Improve your skills in designing user-centered APIs, working on collaborative teams, and using scientific Python
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- Work on a project that will be used by scientific researchers at institutions around the globe - Work with a friendly team! Can't wait to see your GSoC project applications! 😁
signac-flow 0.18 is now available (and some extra bugfixes in 0.18.1)! Changelog: github.com/glotzerlab/signac… This release adds "execution hooks", which can be used for tasks like logging executed operations. Also, the project status output now shows from groups of operations.

Releases · glotzerlab/signac-flow

Workflow management for signac-managed data spaces. - glotzerlab/signac-flow

github.com
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Thanks to @corwinkerr and @kidrahahjo for making the 0.18.0 and 0.18.1 releases, as well as all code contributors and reviewers!
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New paper using @signacdata and @mosdef_hub from @ray_matsum @ptc2ug and coauthors! Beyond Simple Dilution: Superior Conductivities from Cosolvation of Acetonitrile/LiTFSI Concentrated Solution with Acetone pubs.acs.org/doi/10.1021/acs…

Beyond Simple Dilution: Superior Conductivities from Cosolvation of Acetonitrile/LiTFSI Concentra...

Abstract. Concentrated solutions of Li salts in acetonitrile are promising alternative electrolytes for the next generation of Li batteries as they may exh

pubs.acs.org
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2021 by the numbers: 📅 - 8 minor releases - 4 presentations by @BrandonLB663, @Bradley_Dice and @alyssatravitz 👩‍🏫 - 19 code contributors (7 new!) 👨‍💻 - 230+ PRs merged ↩️ - 9 maintainers + committers on 3 continents 🌎🌍🌏
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The next release of signac-flow (0.16) will support the new @XSEDEscience @SDSC_UCSD Expanse supercomputer! Thanks to @corwinkerr and @BrandonLB663 for adding this feature.
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So thankful for @signacdata. After setting up my analysis scripts in a workflow I'm able to run hours of clustering in parallel at the press of a button.
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Looking forward to sharing new features for HPC workflows and synchronized data structures in the @signacdata framework with @BrandonLB663 this afternoon! #SciPy2021
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