# \[ANN\] Chemistry.jl

**URL:** https://discourse.julialang.org/t/ann-chemistry-jl/63225
**Category:** Package Announcements
**Tags:** package, first-steps, chemistry
**Created:** [June 20, 2021, 12:54pm UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225 "2021-06-20T12:54:22Z")
**Posts on this page:** 6
**Page:** 1

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### Author: ![Baobab\_The\_fruit](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/baobab_the_fruit/32/26383_2.png) [@Baobab\_The\_fruit](https://discourse.julialang.org/u/Baobab_The_fruit)
#### Post date: [June 20, 2021, 12:54pm UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/1 "2021-06-20T12:54:22Z")

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Happy to hereby announce what will be my first opensource project, first package, and first overall big project. An elementary chemistry package for Julia, supplying users with first the basic chemistry formulas and later the advanced ones as well.

> **[GitHub - baobabfruit88/ElementaryChemistry.jl: A set of various chemistry...](https://github.com/baobabfruit88/ElementaryChemistry.jl)**
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> A set of various chemistry laws/algorithms. Contribute to baobabfruit88/ElementaryChemistry.jl development by creating an account on GitHub.

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### Author: ![Baobab\_The\_fruit](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/baobab_the_fruit/32/26383_2.png) [@Baobab\_The\_fruit](https://discourse.julialang.org/u/Baobab_The_fruit)
#### Post date: [June 22, 2021, 10:37am UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/2 "2021-06-22T10:37:52Z")

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The code has been added to the registry bot and should be added to the REPL tomorrow !  
[New package: ElementaryChemistry v0.1.0 by JuliaRegistrator · Pull Request #39268 · JuliaRegistries/General (github.com)](https://github.com/JuliaRegistries/General/pull/39268)

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### Author: ![Baobab\_The\_fruit](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/baobab_the_fruit/32/26383_2.png) [@Baobab\_The\_fruit](https://discourse.julialang.org/u/Baobab_The_fruit)
#### Post date: [June 23, 2021, 7:35pm UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/3 "2021-06-23T19:35:51Z")

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ElementaryChemistry has just been added and can now easily be installed from the repl !

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### Author: ![logankilpatrick](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/logankilpatrick/32/38123_2.png) [@logankilpatrick](https://discourse.julialang.org/u/logankilpatrick)
#### Post date: [June 25, 2021, 11:11pm UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/4 "2021-06-25T23:11:20Z")

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Any interest in putting together a JuliaChemistry GitHub org (if there isn’t one already)?

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### Author: ![cortner](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/cortner/32/204_2.png) [@cortner](https://discourse.julialang.org/u/cortner)
#### Post date: [June 25, 2021, 11:23pm UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/5 "2021-06-25T23:23:33Z")

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These people might be interested:

> [@Interest in chemistry-focused BoF?](https://discourse.julialang.org/t/interest-in-chemistry-focused-bof/56425/20):
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> The obvious one for molecular structures is a Berny based optimisation. It can save a factor of 2-3x steps over doing the optimisation directly in Cartesian space. [PyBerny Python implementation](https://github.com/jhrmnn/pyberny) Though it appears that now ASE can wrap PyBerny, as well as providing GPMin and Preconditioned optimisers.

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### Author: ![Baobab\_The\_fruit](https://sea2.discourse-cdn.com/julialang/user_avatar/discourse.julialang.org/baobab_the_fruit/32/26383_2.png) [@Baobab\_The\_fruit](https://discourse.julialang.org/u/Baobab_The_fruit)
#### Post date: [June 26, 2021, 5:26am UTC](https://discourse.julialang.org/t/ann-chemistry-jl/63225/6 "2021-06-26T05:26:30Z")

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I think there isn’t one yet, haven’t made a GitHub org before I’ll definitely have a look and see if I can set one up.
