@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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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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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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That's a wrap on #SciPy2020! Many thanks to all who attended, presented, volunteered, organized, followed along, or held things together somewhere behind the scenes. No matter how #SciPy2021 happens, we hope to see you there!
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Really enjoyed the talk on software design abstraction t #scipy2020! Excellent insights on good API design. I especially liked the *glasshouse* analogy. We tried to apply these exact principles for the design of @signacdata
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Python users - register for @SciPyConf! Last year, I learned so much from the brilliant, kind folks who make the open source software that enables modern science. Plus, you can hear about my lab's recent work on HOOMD v3 from @BrandonLB663. scipy2020.scipy.org/register
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.@signacdata dashboards make data analysis a breeze, so I can focus on the story I'm trying to tell. Awesome package developed by @Bradley_Dice and the rest of the signac team! @NumFOCUS
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My trivial wish for the world is that every developer internalizes "data outlives code" and (at least) considers the implications that has when they update code. Thanks for coming to my TED talk.
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Coding period starts today. Once again, thank you @signacdata and @NumFOCUS for the opportunity. #gsoc #GoogleSummerOfCode
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Trying to manage simulations/directory structures in python without @signacdata makes me realize just how good of a solution hashing the job statepoint -> directory really is. Thanks for building a great tool! 😁
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MolSSI will offer our Python Data and Scripting Workshop as a FREE four-part webinar on Fridays in April via Zoom. Join instructors @ARingerMcDonald and @jessica_a_nash to learn the basics of python scripting. No prior programming experience required! molssi.org/2020/03/24/april-…
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Read about how MoSDeF and other community tools enable reproducible molecular simulations: Towards Molecular Simulations that are Transparent, Reproducible, Usable By Others, and Extensible (TRUE) arxiv.org/abs/2003.02031

Towards Molecular Simulations that are Transparent, Reproducible,...

Systems composed of soft matter (e.g., liquids, polymers, foams, gels, colloids, and most biological materials) are ubiquitous in science and engineering, but molecular simulations of such systems...

arxiv.org
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This hits on something I think is fundamental about learning a new programming language or tool, particularly when you are already familiar with another one...
~Ka@karthika7 Jan 2020
You learn a lot more about a library doing serious work. Moved a project from matplotlib to altair. Initially saw steep learning curve and felt too much code for simple tasks...but net code reduced as I continued!! @jakevdp ( 2 takeaways - 1. Grammer 2. Embed Vega-lite anywhere)
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Data sharing grants! Data curation is not easy neither is the labour required free. That's why @kaggle is giving away small grants ($2k-$5k) explicitly to help academic researchers make their data open. Apply here: kaggle.com/open-data-researc…. Please RT.

About Kaggle's Open Data Research Grant

kaggle.com
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Improved usability. Stronger infrastructure. Faster update and release times. Help meet immediate needs for NumFOCUS projects! Donate now: numfocus.org/donate-to-numfo… #givingtuesday #numfocus #opensource

Donate to NumFOCUS

Donate to NumFOCUS during our end-of-year fundraising campaign.

numfocus.org
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ORNL saying goodbye to record-breaking Titan supercomputer wbir.com/article/tech/scienc…
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Awesome presentation on signac by Bradley!
Bradley Dice@Bradley_Dice26 Oct 2018
I presented recent developments on the signac data framework at the @UMich 2018 Symposium of the Center for Network and Storage Enabled Collaborative Computational Science. youtube.com/watch?v=1-8ZrdK_… Learn more: signac.io #opensource #HPC #python #BigData
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