The latest update of MolecularGraph.jl , as far as I can see, is 9 months ago. This is a booming field where this kind of package is crucial. I’ve seen that ChemistryFeaturization.jl seem to be rather active but seems more focused on non-organic chemistry. On the whole I would think that a Drug Disc…

You may be interested in this thread about a meetup at the last JuliaCon organized by @rkurchin [image] Interest in chemistry-focused BoF? 2021 Hey Julia fam! I was thinking that it would be cool to organize a BoF session at JuliaCon focused around folks who use Julia for…

Thanks for the ping! We’ll be having a minisymposium to follow up on that BoF this year, so keep an eye out for that. In the meantime, if you wanted to fork MolecularGraph and implement the ChemistryFeaturization interface, that would be amazing! I’m enthusiastic to bring in that functionality, but…

Thank you for your interest in MolecularGraph.jl As you pointed out, MolecularGraph.jl is not so active now. I’m a wet lab scientist and have been dedicated to COVID-19 related project until recently, and now many other projects. I’m willing to continue the development of MolecularGraph.jl, but can…

[image] mojaie: I’m willing to continue the development of MolecularGraph.jl, but cannot guarantee it. One way to do approach this would be to move the package into a Julia organization. This would still allow you to work on it if you find the time, but it would also allow others in the organ…

Is MolecularGraph.jl abandoned?

General Usage

mkitti June 14, 2022, 10:10am 2

You may be interested in this thread about a meetup at the last JuliaCon organized by @rkurchin

Topic		Replies	Views
[ANN] MoleculeHub: A set of cheminformatics tools in Julia Package Announcements	15	1141	May 6, 2026
Interest in chemistry-focused BoF? 2021 materials-science , chemistry	56	5207	July 27, 2021
Should there be a Chemistry Domain/Organization? Meta Discussion	30	3980	November 14, 2022
JuliaMolSim community Chemistry announcement	0	179	January 29, 2025
About the Chemistry category Chemistry	0	783	December 4, 2020

Is MolecularGraph.jl abandoned?

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