Should there be a Chemistry Domain/Organization?

Sounds entirely possible :). If I had enough time I could likely make good ground on the first. Audio signals aren’t my forte, but I’ve done enough CV to probably make the first happen :slight_smile:

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Another aspect concerning the link between chemistry and Julia would be to take stock of machine learning and chemistry.
In this respect, the book “Machine Learning in Chemistry” (published in July 2020) is a good starting point to discuss what could be developed.

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Aquarelle332 - I am an analytical chemist who specializes in the application of machine learning, statistics, etc to chemical signals. They call us Chemometricians :). It’s an awesome field, it’s been around since I think the 1970’s. Some argue earlier, but I think the computer is a vital instrument to the field so I like the 70’s timeline.

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Hello ckneale,
Very interesting field. I was not aware of the importance of chemometrics and its connection with machine learning.
Thank you for your comments.

Hello folks, I created a Chemistry domain here on discuourse.

The post About the Chemistry category is a wiki so feel free to adjust it for the needs of the community.

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That looks like a pretty hefty (and pricey) book!

Also there’s an effort to build the python DeepChem library in julia and integrate it into the rest of the ecosystem.

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from the area of thermodynamical properties, a new project is up: https://github.com/ypaul21/OpenSAFT.jl , bringing native SAFT EoS to julia

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Curiously enough, the link as follows is broken.
Did an update move this link?

Chemical Reaction Models documentation

Home · Catalyst.jl

Bump

See discussion here.

Would be nice if “somebody” :wink: takes the lead