AiChemist MSCA DN
@aichemist.bsky.social
AiChemist project https://aichemist.eu is funded by the EU Horizon Europe under the Marie Skłodowska-Curie Grant Agreement No 101120466. #machinelearning #drugdesign #AI #MSCA
It's already Day 4! The penultimate day of the CPH 🇩🇰 #summerschool has kicked off with a lecture from @jonasverhellen.bsky.social, who is sharing his thoughts on #computational diversity in the age of #XAI. Follow the rest of the talks (no signup required) ---> aichemist.eu/lectures.
Day 2 is off to a rigorous start with a lecture by Raquel Rodriguez-Perez of @novartis.bsky.social on uncertainty quantification and #explainability in #ML based molecular property prediction. See the rest of the programme (and Zoom details) at aichemist.eu/lectures.
AiChemist School has started in Copenhagen with the first lecture by Prof. J. Jensen. See the full program at aichemist.eu/lectures where you can also find Zoom password
The Copenhagen School kicks off next week! 🇩🇰 👏 Follow the lectures online - no need to sign up. Just look for the Zoom links on aichemist.eu/lectures. You will find the full programme there too. #ExplainableAI #Chemistry #Toxicology #MachineLearning #Cheminformatics #DrugDiscovery
AiChemist MSCA DN@aichemist.bsky.social · 2mo ago📢 Join us online at the AiChemist CPH Summer School (15–19 June 2026)! Explore #ExplainableAI in #Chemistry & #Toxicology with top speakers from academia, industry & regulators. 🔗 Full (hybrid) Programme: aichemist.eu/lectures #XAI #MachineLearning #Cheminformatics #AI4Science
📢 Join us online at the AiChemist CPH Summer School (15–19 June 2026)! Explore #ExplainableAI in #Chemistry & #Toxicology with top speakers from academia, industry & regulators. 🔗 Full (hybrid) Programme: aichemist.eu/lectures #XAI #MachineLearning #Cheminformatics #AI4Science
📰 The fifth issue of the AiChemist Newsletter is now online! Read up on what we got up to at the Paris Spring School 🇫🇷 , where our DCs and PIs will be presenting their work in the coming months 👩🏫 and check out the consortium's ever-expanding list of #publications 📚 aichemist.eu/sites/defaul...
🚀 Call for Papers! The AIDD Workshop is back for the 3rd time - this time at ICANN2026 in Padua. 🗓 Submission deadline: 6 June 2026 Instructions: aichemist.eu/icann2026 Join us to push the boundaries of AI-driven molecular discovery!
Highlights from the Paris School. It’s been inspiring to see our DCs present their work, exchange ideas w/ leading researchers, and dive into topics ranging from AI‑driven #toxicology + #chemogenomics to #RNAseq + #materials #discovery. Thank you everyone who contributed both in person and online!
Greetings from Paris! 🇫🇷 🥖 We have just kicked off the second session of the day with a lecture from Prof. Laurence Grimaud on applications of ML approaches for optimisation of synthetic chemistry. 🧪 Join us on Zoom - visit aichemist.eu/lectures for the full programme + meeting IDs. #AI4Science
The Paris School kicks off tomorrow (04.03) at 9:00 AM CET☀️ The full programme and hybrid lecture list + Zoom meeting IDs for the first three days of lectures is available on aichemist.eu/lectures See you all tomorrow! #AI4Science #drugdiscovery #machinelearning #CADD
AiChemist MSCA DN@aichemist.bsky.social · 6mo agoAiChemist Paris School: Final Programme + Hybrid Lectures Now Online! 🤩💻 Just two weeks to go! Remote participants can now plan their schedule and follow the sessions most relevant to their research. 👉 aichemist.eu/lectures Zoom/Teams links will be added on 03.03.
AiChemist Paris School: Final Programme + Hybrid Lectures Now Online! 🤩💻 Just two weeks to go! Remote participants can now plan their schedule and follow the sessions most relevant to their research. 👉 aichemist.eu/lectures Zoom/Teams links will be added on 03.03.
📣 Announcing the AiChemist Paris Spring School 2026! 🗓 4–11 March | 🇫🇷 Paris + hybrid A week of deep dives into #AI, #compchem, HTE, #structuralbiology, and #molecula design, featuring top speakers! We’ll offer a partial hybrid option - more details coming soon. 🔗 aichemist.eu/lectures
It's a wrap! The winners of the 2nd Joint EUOS/SLAS Challenge have been announced - congrats to teams "Yumiz" and "Microsomes" as well as AiChemist DC Vasilii Fastovskii! It was a pleasure to be your co-host! 👉 More details at www.eu-openscreen.eu/newsroom/eu-... #MachineLearning #AI4Science
Today we’re marking the International Day of Women and Girls in Science 📅 by looking back at a powerful round‑table from our 2025 AiChemist–CECAM Spring School. @cecamevents.bsky.social A more inclusive field makes better science. ✨ #WomenInScience #WomenInSTEM #MachineLearning
The on-line course on using ochem.eu for model development, held as part of the 9th Workshop on Advanced Computer-Aided Drug Design 2026 (kfc.upol.cz/9add), was also focused on analyses of the best methods for developing models that won the #Tox24 and overview of results of the #EUOS2025 challenge
🌟 A strong start to 2026 for the AiChemist Consortium! 🌟 Three exciting pre-prints in the first five weeks of the year. Proud of our talented young researchers pushing the boundaries of #AI4Science and #DrugDiscovery! 🚀
Vu joined us in Oct 2025 as DC13 and is already making waves - he gave a spotlight talk “Synthelite: chemist-aligned, feasibility-aware synthesis planning with LLMs” at the 2025 ELLIS #ML4Molecules Workshop and won the Best Paper Award. Thrilled to have him onboard! #AI4Science #innovation
OpenTox Virtual Conference 2025 www.opentox.net/events/virtu... had a great selection of speakers covering different aspects of computational toxicology. It was nice to speak there with a critical analysis of the results of #Tox24 challenge: representation learning and consensus models are the best!
#AutumnOnlineTrainingSchool2025 had excellent speakers www.linkedin.com/feed/update/... covering topics from Screening Platforms to AI for Drug Discovery. >230 participants were attending my lecture with overview of #Tox21 #Tox24, Kaggle Solubility & new EUOS2025 doi.org/10.1016/j.sl... Join it now!
@aichemist.bsky.social is happy to be a co-organiser of this #EUOS2025 Challenge. Join it now at ochem.eu/static/chall... and submit your predictions before January 15th 2025.
Online Chemical Modeling Environment
ochem.eu
Igor Tetko@itetko.bsky.social · 8mo ago#AutumnOnlineTrainingSchool2025 had excellent speakers www.linkedin.com/feed/update/... covering topics from Screening Platforms to AI for Drug Discovery. >230 participants were attending my lecture with overview of #Tox21 #Tox24, Kaggle Solubility & new EUOS2025 doi.org/10.1016/j.sl... Join it now!
Congrats to our team that got the National First-class Prize in the Simulation Innovation and Application Competition! The work was previously published in Eur. J. Pharm. Sci. (doi.org/10.1016/j.ej...) and now is officially acknowledged.👍 We appreciate the long-term support from Dr. Igor Tetko! 🌹
Can masked language modeling for molecules be improved? Fabian Krüger aichemist.eu/fellows investigates this question at doi.org/10.1039/D5DD... Using higher masking ratios, optimal pre-training dataset & model size provides better performance. Use the model from Hugging Face & enjoy better results
Fellows | AiChemist MSCA-DN
aichemist.eu
Four of our talented fellows, @ahunklinger.bsky.social, Fabian Krüger, Matt Ball and Bob van Schendel presented a poster on how academia-industry partnerships drive #innovation in #drugdiscovery at #AIS25. They did a fantastic job representing AiChemist and the #MSCA! 👏
Join the Second Joint Machine Learning Challenge to predict the optical properties of small molecules, transmittance and fluorescence, using screening data for 100k compounds Two winning teams will each receive a €1k prize during SLAS2026. Join ochem.eu/static/chall... & submit models by 15 Jan 2026
EU-OPENSCREEN and SLAS Launch the Second Joint Machine Learning Challenge
EU-OPENSCREEN and the Society for Laboratory Automation and Screening (SLAS) are pleased to announce the second EU-OPENSCREEN/SLAS Joint Machine Learning Challenge, inviting scientists worldwide to pa...
eu-openscreen.eu
Visit of Prof. Yan ai-dd.eu/aixia partner of @aidd.bsky.social from Beijing University of Chemical Technology is always a big pleasure! After the lecture, I learned about recent student projects, had some delicious lunch and dinner at local restaurants, and also took a pleasant walk around Beijing!
@itetko.bsky.social gave a lecture on "Artificial Intelligence in Drug Development: Lessons from the @aidd.bsky.social and AiChemist Projects" to students at the Institute of Materia Medica, Chinese Academy of Medical Sciences icmm.ac.cn/yw/content_2... and announced EUOS25 ochem.eu/static/chall...
An institutional retreat is always not only an important scientific event, where we can learn a lot about the work of our colleagues and discuss our plans and ideas for the future, but also a wonderful opportunity to spend time together during informal evenings and outings.
EUROPIN Summer School on Drug Design by @univie.ac.at pharminfo.univie.ac.at/summerschool... had an excellent program covering different topics by leading speakers from academy and industry. I particularly enjoyed interactions with students and speakers as well as beautiful view of Schloss Schönburg
