signac @signacdata
signac is an open-source #Python framework supporting researchers in managing data and automating workflows. https://t.co/hRGEpazrXP signac.readthedocs.io Joined June 2019-
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Thanks @NumFOCUS for featuring the signac 2.0 release in the April newsletter! numfocus.salsalabs.org/numfocus__news…
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/ac…
@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.
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/ac…
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 🌎🌍🌏
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.
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.
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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