Excited to share a career update! This week, I started my 4-month stay in the LIAC lab with @pschwllr.bsky.social at EPFL, as part of my FWO-funded postdoc. Very much looking forward to collaborating with the team, and happy to connect with the Swiss AI for science community. #ChemSky #AI4Science

In der Forschung wird bald nichts mehr ohne KI gehen, erklärt der Chemiker Maarten Dobbelaere im Interview. Aber welche KI? »Die bahnbrechende KI-Anwendung der Zukunft wird möglicherweise nicht das sein, was man heute unter KI versteht«, sagt er. #repost

Looking forward to this great event!

An extreme example of why the h-index without self-citations is interesting

🧑🏽‍🔬 Our reaction analysis tool Rxn-INSIGHT has been downloaded thousands of times since the documentation release (rxn-insight.readthedocs.io)! We're continually working to improve it and would now love to hear your feedback. #ChemSky (1/2)

🧑🏽‍🔬 Our reaction analysis tool Rxn-INSIGHT has been downloaded thousands of times since the documentation release (rxn-insight.readthedocs.io)! We're continually working to improve it and would now love to hear your feedback. #ChemSky (1/2)

Google Scholar has "released" their h5-index for journals again, and this tells me nothing more than the number of review papers published by a journal. Perhaps, if we normalise the h5-index by the number of papers published in that journal, we might obtain a somewhat valuable indicator... #ChemSky

A good day to take out the bike and enjoy gravel roads

Lyon, a wonderful city by day and night. Perfect setting for a fruitful TransPharm general assembly meeting, bringing together AI, #GreenChemistry, and ecotox research

In an extremely hot but beautiful Lyon for our annual meeting of the Horizon Europe project TransPharm (Transforming into a sustainable European pharmaceutical sector) where AI, synthesis, and ecotox meet to discover greener pharmaceuticals @chsteven.bsky.social #chemsky #GreenChemistry

That brings my visit to the University of York to an end. It was lovely to see all the great green chemistry research being done here and to meet many new people! For now, looking forward to new adventures #chemsky #GreenChemistry #chemengsky

Happy to give a seminar in York on Friday on digitalising chemical reaction engineering, all welcome! #chemsky #chemengsky #GreenChemistry

Summer in England!

Today in the photogenic city of Leeds

Cheminformatics family businesses be like

Visiting the University of York till the end of June. If anyone in the UK likes to chat about AI/ML in chemistry/ChemE, green chemistry, flow chemistry, or show me around their lab; I would love to connect and meet up!

What a week! I’m incredibly honoured to have been awarded a junior postdoctoral fellowship from @fwovlaanderen.bsky.social, with only 16.1% of applications funded this year. This fellowship, hosted by UGent and VIB, allows me to work on self-driving labs and collaborate with leaders in the field!

What a week! I’m incredibly honoured to have been awarded a junior postdoctoral fellowship from @fwovlaanderen.bsky.social, with only 16.1% of applications funded this year. This fellowship, hosted by UGent and VIB, allows me to work on self-driving labs and collaborate with leaders in the field!

🎓 Proud to share that I successfully defended my PhD in Chemical Engineering at Ghent University yesterday with my dissertation titled "Molecular Machine Learning for Chemical Reaction Engineering"! 🚀 Excited for what’s ahead and to further contribute to #AIforChemistry! #Chemsky #PhDone

On my way to La Rochelle for the International Symposium on Green Chemistry (#ISGC). Looking forward to this event and happy to meet new people! Find me in Room 4 on Monday (talks at 14:00 and 15:30/45)! #greenchemistry

Deepwiki is awesome! It creates a wiki for every GitHub repository by replacing github.com by deepwiki.com. Just tried it out with Rxn-INSIGHT and now there is even more documentation and insight in reactions deepwiki.com/mrodobbe/Rxn...

Days like these are why I always have eclipse glasses in my drawers

Check out Rxn-INSIGHT, an open-source tool that can help chemists to rapidly and accurately classify reactions, name compounds, and recommend conditions for novel syntheses. Docs: rxn-insight.readthedocs.io/en/latest/ Paper: doi.org/10.1186/s133...

Today, we celebrate the birthday of Ghent University and this year we are lucky with a sunny spring day. So a perfect opportunity to appreciate the beauty of our region again.

Rxn-INSIGHT 0.1.2 is out now, and the reaction analysis package is slowly growing! 🚀 The new version includes two new modules, ord and molecule, which enable direct integration with OpenReactionDatabase and PubChem. Additionally, new easy tutorials are available at rxn-insight.readthedocs.io

Rxn-INSIGHT 0.1.2 is out now, and the reaction analysis package is slowly growing! 🚀 The new version includes two new modules, ord and molecule, which enable direct integration with OpenReactionDatabase and PubChem. Additionally, new easy tutorials are available at rxn-insight.readthedocs.io

I am delighted to have won the first prize in the poster presentation at the AI for Chemistry (@aichemyhub.bsky.social) Inaugural Conference at Imperial College London. My poster described three digitalization opportunities in chemical reaction engineering at various scales:

Presented by AIchemy Co-Directors, @jelfschem.bsky.social and @aicooper.bsky.social our Winner for the Poster Presentation was Maarten Dobbelaere from Ghent University 🎉 Runners up 🎉 ▪️Annabelle Basford - Imperial ▪️Daniel Yanes - University of Nottingham ▪️Minggao Feng - University of Liverpool

Conference or symposium? The British Museum helps you in making the choice

Ready to introduce our students to cheminformatics in the next three hours!

Feeling both tired and rewarded after teaching my first lecture in our bachelor's program. Next class in a week!

Excited to introduce our chemical engineering and materials science undergraduate students to chemical data science in Python. Up today: refreshing basic Python and NumPy skills plus working with Pandas and Matplotlib

Sun is setting after a relaxing weekend. Now back to reality and thesis writing...

Christian Stevens et al have unveiled an advanced automated #continuousflow through platform, powered by the Borealis Flow #photoreactor, designed to revolutionize the optimisation of #photocatalytic gas-liquid flow processes. #BayesianOptimization #chemsky #flowchemistry #photochemistry

That link didn't work out well, second try: www.sciencedirect.com/science/arti...

A fruitful TransPharm collaboration led by Caroline Moermond resulted in a comment on trade-offs in sustainable pharma. Unfortunately, improving one environmental aspect can worsen another! Therefore, a holistic view is key to balancing impacts across a drug's life cycle... doi.org/10.1016/j.sc...

Making the preparations for a white Christmas. But also an inspiring decor for thesis writing 🙃

Train rides along Lake Geneva never disappoint

A lot of people present early in the morning here in Paris for #AI in #ChemicalEngineering #chemsky #chemengsky?

#GreenChemistry is also about developing more sustainable molecules. Prof Klaus Kümmerer from Leuphana University is here to show his sustainable API alternatives

Workshop with a view. The three towers of Ghent seen from the Tower of Books

Polymers are everywhere and prof Katrien Bernaerts from Maastricht University will guide us to greener polymer chemistry #GreenChemistry

Christophe Len from ParisTech traced back early mechanochemistry to Ancient Greece #chemsky

Our next speaker is Aigars Jirgensons from the Latvian Institute of Organic Synthesis who sparks our interest with a lightning talk on organic electrosynthesis

We continue with an introduction to flow chemistry by Renzo Luisi from the University of Bari #flowchemistry #GreenChemistry #chemsky

We are kicking off our #GreenChemistry workshop with a session by Chris Stevens on combining renewable resources, high-throughput screening, and organic synthesis

The latest version of the Rxn-INSIGHT reaction analysis software is on PyPI! Now finally with some basic documentation on how to parse and analyze your own reaction databases. Paper: doi.org/10.1186/s133... Code: github.com/mrodobbe/Rxn... Docs: rxn-insight.readthedocs.io/en/latest/

The latest version of the Rxn-INSIGHT reaction analysis software is on PyPI! Now finally with some basic documentation on how to parse and analyze your own reaction databases. Paper: doi.org/10.1186/s133... Code: github.com/mrodobbe/Rxn... Docs: rxn-insight.readthedocs.io/en/latest/

Or when your materials are not "furry" enough

Very very very last chance to register for the #GreenChemistry workshop in Ghent! We aim for interactive sessions on flow chemistry, AI x green chemistry, ecotox, and benign by design