Dennis Svatunek

PI and Team Leader @tu_wien | ⬡master of hexagons⬡

[Dennis Svatunek @Click_Chemist]

@CorinWagen Yeah that's a weird one. You already got numpy imported and genfromtxt would do everything you need and yet every LLM wants to add pandas.

[Dennis Svatunek @Click_Chemist]

@olexandr Classic paper launch. Here even official sellers of the Founders Edition didn't even bother to list them in their store.

[Faculty of Technical Chemistry, TU Wien @chemistry_tuw]

🎓 @YIA_chemistry Thesis and Internship Fair on 28.11.2024!
📍TU Wien, BA auditorium (2nd floor)
🕒15:30-18:00
Network with young researchers and find exciting projects for internships and final theses. 🚀
Don't miss out!
#ThesisFair #Networking #tuwien #chemistry_tuw

[Dennis Svatunek @Click_Chemist]

Hey compchem friends. Any tool that can produce coordinates from SMILES with good cis/trans stereocontrol? Example: C1/C=C/CCCCC1
Both RdKit (ETKDGv3) and OBabel fail...

[Angewandte Chemie @angew_chem]

Transforming Aryl-Tetrazines into Bioorthogonal Scissors for Systematic Cleavage of trans-Cyclooctenes (Hannes Mikula and co-workers) @MikulaLab @tu_wien #openaccess https://t.co/pWkFyA1lbt

[Dennis Svatunek @Click_Chemist]

@AriWagen @ruben_laplaza @CorinWagen Oh wow, that's super nice. Really like your platform. I will have to test it more.

Currently we are mostly working with ORCA.

[Dennis Svatunek @Click_Chemist]

A question to the compchem people: why do we not have web based output file viewers yet? Cross compatible, no installation needed, perfect for teaching.

[Dennis Svatunek @Click_Chemist]

@grynova_CCC That looks super interesting. Definitely some nice features.

[Dennis Svatunek @Click_Chemist]

@ruben_laplaza @CorinWagen @AriWagen It seems like a very nice viewer/tool but afaik it only works for their data. Also uploading files could be a problem if structures are confidential. I'm playing around with full local processing and it seems to work quite well using Wasm.

[Dennis Svatunek @Click_Chemist]

@Dr_GHill @MolecularXtal One of the ways to get people to cite these is making it really easy to do so. ORCA 6 has the right idea with giving you DOI and even bibtex for the methods you actually used in the calculation.

[Martin Wilkovitsch @pg12_wilko]

Incredibly delighted and grateful that our paper in Monatshefte für Chemie - Chemical Monthly has been selected for the Best Paper Award 2024 by Springer! 🤩🧪🥳
Thanks @AT_ChemSociety @springer and @Click_Chemist @MikulaLab 💪🏼

Check out the paper:
https://t.co/YUxKGfmhuu

[Thijs Stuyver @thijsstuyver]

A 5-year position as data steward/research engineer of the chemistry departments of @psl_univ is available (more info about the position & the application process below). Deadline: December 1st. Retweets are appreciated! #chempostdoc

[Dennis Svatunek @Click_Chemist]

@BagPhos I could make a "declined invitations" section that is about 20 pages long if I put 50 invitations per page.

[Dennis Svatunek @Click_Chemist]

If your 'max 3000 symbols' field counts EOL as two symbols you are doing it wrong and you are wasting users' time.

[Dennis Svatunek @Click_Chemist]

If each takes just a second to delete, with some thousands of those emails a year you are starting to spend an hour just deleting that spam.

[Dennis Svatunek @Click_Chemist]

It's getting ridiculous. For the past years I got maybe one scam conference/journal request per day but I'm now at 5-10 while I already have hundreds of blocked senders.

Who are the people falling for these? Can we stop them somehow?

[Dennis Svatunek @Click_Chemist]

@BenSPilgrim @J_A_C_S @ChemistryUoN @Mrb_Black @09Soumalya @steppphhhen That's an amazing concept. Congrats.

[Dennis Svatunek @Click_Chemist]

It's 2024 and that is what some airports consider adequate infrastructure. 6 plugs in the floor with no seating nearby for a gate with 180 passengers. @bhx_official that's worse than your security and that one is absolutely terrible.

[Dennis Svatunek @Click_Chemist]

@Fred_A_Perras @Nature The fact that they include an D-alanine and L-alanine coordinate file tells you everything you need to know.
Here's an overlay of their D-alanine (which for some reason has a fluorine atom included?) and their L-alanine (mirrored). Should be the same, it's clearly not.

[Dennis Svatunek @Click_Chemist]

@SchleifTim but might also be a "cartoon chemical supplies brooch pin cute science alloy breastpin lapel pin badge clothing bag backpack ha jacket charm gift girls"

[Dennis Svatunek @Click_Chemist]

@SchleifTim I think it's a "Chemistry Lab Enamel Anime Anime Pin Custom Brooches For Bag Clothes Lapel Pin Science Experiment Badge Element Molecular Structure Jewelry"