🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

The 3rd #MSCA Doctoral Networks Call closed yesterday with 📚 1066 proposals received: 🟣 920 Standard Doctoral Networks 🟣 64 Industrial Doctorates 🟣 82 Joint Doctorates. €434.8 million will fund over 150 projects. Stay tuned for more soon!⤵️ 🌐 europa.eu/!nXyQqd

Bio-xLSTM: Generative modeling, representation and in-context learning of biological and chemical sequences xLSTM also shines for DNA, proteins and small molecules -- can handle large-range interactions and huge context! P: arxiv.org/abs/2411.04165

What was a busy week! After lecture and participation to PhD defense at Shenzhen Institute of Advanced Technology, I had seminar at Peking Union Medical College followed by lecture at Beijing University of Chemical Technology to https://bsky.app/profile/aidd.bsky.social partner, Prof. Yan ai-dd.eu/aixia

Understanding the difference between Standard Deviation (SD) and Standard Error (SE) is crucial for accurate data interpretation. SD measures the variability within your data, indicating how spread out the individual data points are from the mean. In contrast, SE measures the

There’s a new Practical Cheminformatics post, “Some Thoughts on Dataset Splitting,” (with code and a robot cartoon) at practicalcheminformatics.blogspot.com/2024/11/some-t…

Chemists often combine many different techniques to elucidate structures. Adrian Mirza has been building a system that mimics this using machine-learning models and genetic algorithms.

Does this work excite you? Are you a prospective PhD, postdoc, or technical assistant? Look no further! Thanks to a generous donation from OpenPhilanthropy, we have multiple openings in our group, reach out to us here forms.fillout.com/t/eoGA7AhnAKus

Igor Tetko explains AiChemist and https://bsky.app/profile/aidd.bsky.social projects to PIs of helmholtz-munich.de/en/molecular-t… from Helmholtz Munich | @HelmholtzMunich and speaks about excellent career perspectives of Doctoral Candidates trained within Marie Skłodowska-Curie Actions

Our #MSCA Doctoral Networks 2024 call just closed, with 1️⃣4️⃣1️⃣7️⃣proposals this year! 🟣1,249 Standard 🟣80 Industrial 🟣88 Joint Doctorates €608.6M will fund 190 innovative projects across 34 countries to train top talent. Stay tuned for results! 👉europa.eu/!QWVrqg

Our modeling work with Dr. Igor Tetko https://bsky.app/profile/aidd.bsky.social , which focuses on Plasma Protein Binding (PPB), has been published in the official journal of EUFEPS EUFEPS . doi.org/10.1016/j.ejps… It is interesting to see that LogIt improves prediction accuracy for high-PPB compounds.

"Can Publishing Neural Networks Expose Confidential Training Data?" Fabian Krüger will dive into the details during the AiChemist seminar on 09.12 at 14:00 - all are welcome to join! Link to be posted on aichemist.eu/news at 10:00 CET the same day.

Menzerath's law (big construct formed by small components) can be seen as antifragility of structure coming from fragility of the parts

AiChemist PI Alessandra Roncaglioni aichemist.eu/irfmn-supervis…, head of the Environmental Chemistry and Toxicology Laboratory of Istituto Mario Negri in Milan, explains the use of Artificial Intelligence for the analysis of drugs. Enjoy listening, if you parli Italiano 😉.

A huge congratulations to Dr. Julian Cremer for successfully defending his PhD - we are on a roll! Dr. Cremer will continue his outstanding work on #denovo #drugdesign, which has received many accolades and an impressive amount of citations, as a postdoc at Pfizer Inc.. 👨‍🔬👏🎉

ELLIS ML4Science workshop co-organised by our PI Francesca Grisoni & https://bsky.app/profile/aidd.bsky.social PI Günter Klambauer was a great event to learn advances in ML & promote https://bsky.app/profile/aidd.bsky.social results: ai-dd.eu/lectures. https://bsky.app/profile/aichemist.bsky.social fellows Dina Khasanova Marcel Hiltscher attend poster session. Berlin eve.

Hyperparameter optimization is frequently employed in machine learning, but optimization of a large space of parameters could result in overfitting.Use of pre-optimized hyperparameters can give similar or better performance up to 10000x faster: jcheminf.biomedcentral.com/articles/10.11… Journal of Cheminformatics

new: "Human-in-the-loop active learning for goal-oriented molecule generation" jcheminf.biomedcentral.com/articles/10.11…

new: "Be aware of overfitting by hyperparameter optimization!" jcheminf.biomedcentral.com/articles/10.11…

34th International Conference on Artificial Neural Networks #ICANN2025 Call for Papers, Special Sessions, Workshops & Tutorials Kaunas, Lithuania Sep 9 - 12, 2025 See: e-nns.org/icann2025/call… #ENNS #AI #NeuralNetworks #ML #MachineLearning

We have moved to bsky.app/profile/aidd.b… No posts will be at twitter/X anymore.