Lukas Turcani

[Lukas Turcani @LTurcani]

Hi #compchem I made a tool I hope you find useful.
stk-vis is a cross-platform viewer for molecules and molecular databases. The main goal was to make sharing of molecules between people frictionless, even when working across groups or countries.
https://t.co/5JuQ0VlBq7
1/x

[Eugen @EugenAlpeza]

Going from 1 million tickets -> executable skills is not about storing everything that has ever happened, it's about intelligently synthesizing useful information.

We built @edra_ai on top of a new learning paradigm, after seeing this problem years ago while running AI deployments at Palantir. More on how we do it here: https://t.co/ONBjA7MEEJ

[Eugen @EugenAlpeza]

Enterprise context is the new source code. The instructions you give your agents about how your business actually runs are your IP.

That's why you need to own that context in a white box system you can read, modify, and govern. Not black box models or proprietary vendor configurations.

[Lukas Turcani @LTurcani]

@ZarkoPernar and I joined as the first engineers at Edra over a year ago and I'm very proud of what we've built 🚀

[Eugen @EugenAlpeza]

We’re out of stealth.

Today, we’re also announcing our Series A led by @sequoia , @8vc , and @A_StarVC , bringing our total funding to $30M+.

Every enterprise needs to teach their AI how to do work. We build agents that reverse engineer enterprise processes, then run them.

Read about the future of learning in the enterprise: https://t.co/ONBjA7MEEJ

[Eugen @EugenAlpeza]

We’re out of stealth.

Today, we’re also announcing our Series A led by @sequoia , @8vc , and @A_StarVC , bringing our total funding to $30M+.

Every enterprise needs to teach their AI how to do work. We build agents that reverse engineer enterprise processes, then run them.

Read about the future of learning in the enterprise: https://t.co/ONBjA7MEEJ

[Edra @edra_ai]

https://t.co/nvf7TGryKk

[Lukas Turcani @LTurcani]

@inigo_iribarren Oh yay!!! Glad you found it to be of some use! Appreciate the shout out 🙏🙏.

[Lukas Turcani @LTurcani]

New release of atomlite out! (https://t.co/W8a0NKAhGv)

A Python library for storing and retrieving your molecules and their JSON properties from a single file — now supports data frames!

#compchem #DataScience

[Read the Docs @readthedocs]

We compiled a list of many Awesome Read the Docs projects 👓! You can use them to get new inspiration 🧘‍♀️ for your documentation 📚

Know a cool project 🤩 that should be added? Feel free to send a pull request or comment here.

See the full list: https://t.co/URHA9JyEXF

[Ethan Mollick @emollick]

🤯Because of Excel, a THIRD of all genetics papers published in top journals have errors, as many genes have names like SEPT2 (the official name of Septin 2), which Excel automatically makes dates.

The issue was found in 2016, but still hasn’t improved! https://t.co/9E46yk82cd

[Mark Tenenholtz @marktenenholtz]

Python 3.11 is out! 🎉

This is one of the most exciting releases in a while, including significant speed upgrades and better error messages.

Here's what's new:

[The Journal of Chemical Physics @JChemPhys]

Some highlights from the collection (1/4): An update on stk – a toolkit for general structure generation from @LTurcani @andrew_tarzia @fiszczyp @JelfsChem.
Great video tutorials for stk: https://t.co/Ej7eox0Nl8
Paper: https://t.co/30NJIH0tF2

[Austin Mroz @austin_mroz]

Part of my PhD work with ⁦@chhendon⁩ is out in ⁦@ChemicalScience⁩!
We present a SWEET new method STREUSEL (🥧) for determining the size of chemical species from the electric field.
Big thanks to Josh, Audrey & Jasper for their calculations! https://t.co/2Ky9YamBok

[Laurie Voss @seldo]

Remember: if you import with asterisk, you expose your ass to risk.

[Amila Welihinda @amilajack]

Life is to short to use dated cli tools that suck

Try these instead 🧵

[Lukas Turcani @LTurcani]

@lilyminium Bit overdue but here is a pic of the different configs possible (click image to expand, there's more than 2)

[Lukas Turcani @LTurcani]

Hi #compchem I made a tool for embedding interactive 3D models into your chemistry documentation. It is a Sphinx extension so works with both Python docstrings and rst files. You can see it in use in stk's docs (https://t.co/s3gnLrFTwT)

[Lukas Turcani @LTurcani]

@hugo_verli Nah, Sphinx only I'm afraid.

[Lukas Turcani @LTurcani]

@toniobuonassisi Yes! Let me know if you run into any issues.

[Lukas Turcani @LTurcani]

@lilyminium Not atm, but certain things like changing element colors and size, if you wanted a space-filling representation for example, would be trivial to add. Might even do that later today.