EvaNittinger

40 posts

EvaNittinger

@NittingerEva

Scientist, computational chemist, interested in new developments and applications

Katılım Eylül 2020

142 Takip Edilen313 Takipçiler

EvaNittinger@NittingerEva·7 Ara

Looking forward to present at tomorrow ELLIS workshop about generative AI, REINVENT, it’s possibilities and challenges!

Günter Klambauer@gklambauer

LAST REMINDER Tomorrow (Dec 8), 9am CET, this year's @ELLISforEurope Machine Learning for Molecules Workshop starts! Open for everyone to join for free! Schedule and registration: moleculediscovery.github.io/workshop2023/

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Francesca Grisoni@fra_grisoni·17 Eki

Less than one week left to submit your work to the #ELLIS ML4Molecules workshop! ⏰ Don’t miss out 💪🏻 👉moleculediscovery.github.io/workshop2023/ Deadline: Oct 23, 2023!

Francesca Grisoni@fra_grisoni

📢 Very happy to announce the 2023 #ELLIS workshop on #ML for molecules! It will explore many cool topics, e.g. large language models, explainable AI, generative deep learning, automation & more 🚀 👉moleculediscovery.github.io/workshop2023 w/ @pschwllr, @MicheleCeriotti & Andrea Volkamer 💪🏻

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Günter Klambauer@gklambauer·9 Eki

New deadline October 13th! Suit up (your papers)!!!

Günter Klambauer@gklambauer

Consider submitting your recent ongoing work to the ML4Molecules workshop (4page paper sufficient): Deadline is October 8!!! moleculediscovery.github.io/workshop2023/

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Sumaiya Iqbal@Sumaiyalqbal·21 Ağu

🎤 Call for abstract! The Broad Institute #MachineLearning in #drugdiscovery Symposium 2023 will feature top industry and academic speakers👇 Calling all grad students/trainees to register and submit an abstract, 👉 eventbrite.com/e/broad-instit…

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Günter Klambauer@gklambauer·18 Eyl

The 3rd edition of the ELLIS ML4Molecules Workshop has been announced! ⏰ Virtual event on December 8 ⏰ Call for contributions open! Participation is free -- join us!!! moleculediscovery.github.io/workshop2023/

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EvaNittinger@NittingerEva·24 Nis

Looking forward to my new role and many interesting submissions!

Journal of Cheminformatics@jcheminf

Please welcome our new Associate Editor @NittingerEva ! jcheminf.biomedcentral.com/about-the-edit…

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EvaNittinger@NittingerEva·8 Mar

GRC program is also out - with a fantastic line up of speakers! grc.org/computer-aided…

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EvaNittinger@NittingerEva·8 Mar

Interested in computer aided drug design and a young scientist? Come join our seminar GRS CADD accompanying the GRC CADD in Mount Snow in July. grc.org/computer-aided… #cadd #cheminformatics #compchem #conference2023

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Nadine Schneider@foo_fighterin·16 Oca

Interested in ML for small molecule drug discovery? Then have a look at our perspective which highlights different aspects of this topic specific to academia and industry.

Riniker lab @ ETHZ@rinikerlab

Great teamwork and discussions with academic and industry colleagues lead to this perspective looking at machine learning for small-molecule drug discovery. sciencedirect.com/science/articl…

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EvaNittinger@NittingerEva·29 Kas

@SiFulle Hi Simone, looking forward to meeting you there! In case you know some interested students/PhDs/PostDocs please feel free to share the #GRC accompanying seminar #GRS #CADD grc.org/computer-aided…

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Simone Fulle@SiFulle·29 Kas

Yeah - got a participant spot at the #GRC #CADD conference 2023. Really looking forward to that. Who else is coming?

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EvaNittinger@NittingerEva·9 Eyl

@ifndef_define [3] Among the presentations were SQM/COSMO scoring function, AMBER, GROMACS, DOCK, AIZynth. Additionally there were flash presentations on ProteinsPlus, MELLODDY, induced fit docking, docking+AI, nanoparticles, and virtual screening, not to forget the ~40 posters presented.

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EvaNittinger@NittingerEva·9 Eyl

@ifndef_define [2] MD simulations, allosteric site detection, (large scale) docking and the combination with ML/AI, RNA targeting, QM, property models, reaction prediction and de novo design from small molecules, to peptides and proteins.

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EvaNittinger@NittingerEva·1 Eyl

Two days of great presentations and discussions at the 1st Nordic Conference on Computational Chemistry - thanks a lot to everyone who joined! #1NoCoCoChem #CADD #compchem

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EvaNittinger@NittingerEva·1 Eyl

Special thanks to all presenters! @eriklindahl Giuseppina La Sala @cathrinebergh @annalinusson Jens Carlsson Ulf Ryde @BrenkRuth⁩ @Lepsik_science Alelsei Kabedev ⁦@PeONor⁩ ⁦@foo_fighterin @DelemotteLab @GiulioTesei @SiFulle Ricardo Ferreira⁦ Ingemar André

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EvaNittinger@NittingerEva·31 Ağu

Now starting: 2nd day of the 1st Nordic Conference on Computational Chemistry - looking forward to presentations from Per-Ola Norrby and Nadine Schneider in the first session @PeONor @foo_fighterin #1NoCoCoChem

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Mireille V. Krier@mvkrier·28 Ağu

Looking forward to attend #1NoCoCoChem for @OpenEyeSoftware . Will you also join?

EvaNittinger@NittingerEva

Join our 1st Nordic Conference on Computational Chemistry in Gothenburg, Sweden. 1 month to submit your abstract for oral/poster presentation! lakemedelsakademin.se/produkt/1st-no… #computationalchemistry #cheminformatics #conference2022

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EvaNittinger@NittingerEva·2 Haz

The programme for our Nordic Conference on Computational Chemistry has been updated - early registration deadline June 15th! #conference2022 #compchem #cheminformatics #computationalchemistry

EvaNittinger@NittingerEva

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EvaNittinger@NittingerEva·6 May

1 week left to submit an abstract! #computationalchemistry #cheminformatics #conference2022

EvaNittinger@NittingerEva

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Keşfet

@SiFulle @eriklindahl @cathrinebergh @annalinusson @BrenkRuth @Lepsik_science @PeONor @foo_fighterin