signac
@signacdata
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signac is an open-source #Python framework supporting researchers in managing data and automating workflows. https://t.co/hRGEpazrXP
Joined June 2019
Thanks @NumFOCUS for featuring the signac 2.0 release in the April newsletter!
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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. đ
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signac 2.0.0 has been released! To learn more, read our blog post and the changelog: - https://t.co/1pVqbEFvXI - https://t.co/RZTsgjTgLy Companion releases of signac-flow 0.25.0 and signac-dashboard 0.5.0 are also available to support signac 2.0.0.
github.com
[2.0.0] -- 2023-03-30 Added Official support for Python 3.11 (#875). H5Store related errors are now included in the public API (#775). Users can now access the project to which a job belongs with ...
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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. https://t.co/k4hwP81yTT
pubs.acs.org
MoSDeF-GOMC is a python interface for the Monte Carlo software GOMC to the Molecular Simulation Design Framework (MoSDeF) ecosystem. MoSDeF-GOMC automates the process of generating initial coordina...
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@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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@NumFOCUS - 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! đ
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@NumFOCUS 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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@NumFOCUS 2. Revising the signac-flow API: Define workflows leveraging the expressive and powerful features of the signac-flow framework with a more succinct and readable syntax.
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@NumFOCUS This year, the signac project has two project pitches (or you can suggest your own!): 1. Developing a RESTful Interface for Data Managed with signac.
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@NumFOCUS There's even a proposal template to help you get started!
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The #GSoC2022 application deadline is April 19 18:00 UTC. Our mentors are happy to answer questions and advise you through the application process. Join our Slack workspace to discuss:
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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! https://t.co/4SC1aNnVfl 1/
github.com
Manage large and heterogeneous data spaces on the file system. - glotzerlab/signac
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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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signac-flow 0.18 is now available (and some extra bugfixes in 0.18.1)! Changelog: https://t.co/4xJJMSsPLt 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.
github.com
Workflow management for signac-managed data spaces. - glotzerlab/signac-flow
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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
Concentrated solutions of Li salts in acetonitrile are promising alternative electrolytes for the next generation of Li batteries as they may exhibit superior electrochemical properties. However, the...
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2021 by the numbers: đ
- 8 minor releases - 4 presentations by @BrandonLB663, @Bradley_Dice and @alyssatravitz đŠâđĢ - 19 code contributors (7 new!) đ¨âđģ - 230+ PRs merged âŠī¸ - 9 maintainers + committers on 3 continents đđđ
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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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