MSnLib: a large-scale, open multi-stage fragmentation mass spectral library for 30,000 unique small molecules. @robinschmid.bsky.social @pluskal-lab.org www.nature.com/articles/s41...

I am very proud of the final outcome of this project, mainly driven by Corinna Brungs and supported by numerous labs who donated compounds for analysis.

The first day of our bioML symposium at @iocbprague.bsky.social went very well. It is amazing to see how fast this field is moving forward. Thanks to everyone for the fantastic talks! 🤖🧬

Yesterday @roman-bushuiev.bsky.social visited our lab. He gave a seminar talk about his recent work on DreaMS (www.nature.com/articles/s41...), and provided a hands-on training to my lab members. Looking forward to what we will discover using this awesome tool!

At #ASMS2025, we presented a next-gen workflow pairing the #timsMetabo MoRE (Mobility Range Enhancement) with #mzmine and #DreaMS Compared to conventional LC-MS2, the data delivered: - 84% more detected features - 5.7× more MS² spectra - 3× more spectral matches Read the full poster to learn MoRE

🚨 MetaboART 🎨 2025 – Deadline Extended: 🗓️ Submissions now open until June 13! Two categoried: 👤 Human-Created // 🤖 AI-Generated 🏆Winner @ #MetSoc25 on June 24 Details👉 tinyurl.com/dh37xt78 📩[email protected]

#mzmine 4.7 is now available! This release brings our most significant improvement in memory efficiency to date, unlocking new capabilities for analyzing large-scale datasets. Join us for a live software demo at our booth today and tomorrow at 12:00/noon during #ASMS2025

Today is the registration deadline for our bioML symposium on Aug 21-22. Last chance to secure your spot! More info at tinyurl.com/bioMLPrague25

⚛️ @pluskal-lab.org from IOCB Prague, together with his student @roman-bushuiev.bsky.social and colleagues from #CIIRC CTU, Josef Šivic and @anton-bushuiev.bsky.social, have developed a machine learning model called #DreaMS – which accelerates the analysis of previously unknown molecules.

Mass spectrometry is a key method to discover and identify molecules in biological and environmental samples. Yet, >90% of mass spectra remain hard to interpret. In our recent paper, we present DreaMS — a foundation model to interpret mass spectra of small molecules. www.nature.com/articles/s41...

This paper represents a great effort by @roman-bushuiev.bsky.social and his brother @anton-bushuiev.bsky.social. The DreaMS foundation model for mass spectra of small molecules now opens lots of avenues for possible downstream applications. It might be a game changer for computational metabolomics.

The Mass Spectrometry Query Language (MassQL) is an open-source language for instrument-independent searching across mass spectrometry data for complex patterns of interest via concise and expressive queries without the need for programming skills. www.nature.com/articles/s41...

Join us for a power-packed software workshop where we’ll be breaking boundaries in multi-vendor MS analysis using #mzmine at #ASMS2015 Led by experts @robinschmid.bsky.social and @ansgarkorf.bsky.social 𝗡𝗼 𝘀𝗶𝗴𝗻–𝘂𝗽 𝗿𝗲𝗾𝘂𝗶𝗿𝗲𝗱, 𝗷𝘂𝘀𝘁 𝗱𝗿𝗼𝗽 𝗯𝘆 𝘁𝗵𝗲 𝗯𝗼𝗼𝘁𝗵 𝗮𝘁 𝟭𝟮 𝗺𝗶𝗱𝗱𝗮𝘆. See you there! 👋

Get Ready! Only 3 weeks to go until #ASMS2025! Our team will be showcasing our latest developments in #mzmine at this year’s conference. Stop by Booth 210 for live demonstrations and insights into how you can streamline your data processing across multiple vendors, adding speed and confidence.

🤝 IOCB Prague is hiring – we are looking for an outstanding Junior Group Leader in Biosciences to join our vibrant scientific community. See more ► www.uochb.cz/en/open-posi... ⤵️ #openposition #iocbprague #iocb #researchjobs #biosciences

Another year, another @mzmine.bsky.social workshop at @iocbprague.bsky.social! Both new and advanced users are learning about the latest mzmine features from our amazing instructors @ansgarkorf.bsky.social, Josh Smith, @titodamiani.bsky.social, and @roman-bushuiev.bsky.social.

Back in July 2023 we organized a small bioML symposium at @iocbprague.bsky.social, and it turned out to be a very pleasant and successful event. This summer we are following up with a great line-up of speakers. Please register for free, deadline May 30. tinyurl.com/bioMLPrague25

#mzmine Rapid MALDI-MS/MS-Based Profiling of Lipid A Species from Gram-Negative Bacteria Utilizing Trapped Ion Mobility Spectrometry and mzmine (Rudt, Froning, @robinschmid.bsky.social, @pluskal-lab.org)–AC: doi.org/10.1021/acs.... @iocbprague.bsky.social @mzmine.bsky.social @uni-muenster.de

We were hosting a MZmine workshop within our INTER-MICRO /Talking microbes/ OP JAK project. Presenters: Zdeněk Kameník (Laboratory of Antibiotic Resistance and Microbial Metabolomics IMIC); Tito Damiani and Joshua Smith (Tomáš Pluskal group @iocbprague.bsky.social) Learning new things #intermicro

Only a few days remain to register for the first official mzmine Community Meeting, taking place on April 28-29 at @iocbprague.bsky.social. Registration: docs.google.com/forms/d/e/1F... Program: docs.google.com/document/d/1...

This is the first paper from our Piper-series, many more to follow. A great effort by multiple lab members!

🚨 Abstract deadline alert! 🚨 Friendly reminder to submit your oral abstract before March 6 – don’t miss the chance to showcase your work at hashtag#MetSoc2025! Registration is now open: lnkd.in/eFZGi4CK #Metabolomics #EMN

🤝 In April 2024, brothers Roman and Anton Bushuiev from the teams of @pluskal-lab.org @iocbprague.bsky.social and Josef Šivic #CIIRC_CTU initiated a collaboration among 14 research institutes across the globe to benchmark #AI methods for the discovery of molecules from mass spectrometry data. 1/2

We will be hosting the first @mzmine.bsky.social Community Meeting at @iocbprague.bsky.social. Please register if you wish to learn about the latest developments in mzmine. More info: docs.google.com/document/d/1...

New #mzmine release out now! Matching millions of reference spectra against thousands of samples was never faster. Go and test it today. Download: github.com/mzmine/mzmin... youtu.be/AFv55sUn9Lg

MassSpecGym is the largest publicly available collection of mass spectra data with 231K spectra for 29K unique molecular structures. 33% of the dataset was generated from newly measured, in-house data. 🛡️The dataset is now certified on Polaris! polarishub.io/datasets/rom... youtu.be/G8ZnVRm0ogc

The new POMBOX kit is now available from @addgene.bsky.social To plan your cloning with this and other Golden Gate kits, you can try the kit template in #ShareYourCloning 🔗 Visit shareyourcloning.org 👉 Go to Templates > Moclo 🎞️ Full demo video www.youtube.com/watch?v=n0he... #pombe #MoClo

🏆 Cenu #Neuron pro mladé vědce získal v neděli také Dr. Tomáš Pluskal z našeho ústavu. Více na ► www.uochb.cz/cs/novinky/6... ⤵️ #cenaneuron #iocb #iocbprague #uochb #akademievedcr

👏 Hlavní Cenu Neuron 2024 získal tentokrát uznávaný fyzikální chemik prof. Pavel Jungwirth z našeho ústavu. V oboru chemie uspěl také Dr. Tomáš Pluskal z ÚOCHB. Blahopřejeme nejen jim, ale také všem dalším oceněným! Více na ► cenyneuron2024.cz ⤵️

Has Bluesky replaced X for scientists? Take Nature’s poll “The research community has flocked to the social-media platform Bluesky. Tell us about your experience.” www.nature.com/articles/d41...

Looking for a PhD project? Check our projects at @iocbprague.bsky.social! 🧬🧪🥼

I am really enjoying the evolution of mzmine. I started using it a couple of years ago with ver 2.53 and now here we are at ver 4. I'm still using ver 4.2, but there's already a 4.3. It's super convenient for non-targeted LC-MS/MS analyses and very user-friendly for beginners. @mzmine.bsky.social

The MassSpecGym team presenting the poster at #NeurIPS2024! Fei Wang, Adamo Young, @roman-bushuiev.bsky.social, @anton-bushuiev.bsky.social, Raman Samusevich

2️⃣ “MassSpecGym: A benchmark for the discovery and identification of molecules” @roman-bushuiev.bsky.social @anton-bushuiev.bsky.social polarishub.io/datasets/rom...

👏 IOCB Prague is celebrating two significant achievements in the field of scientific research. See more at ► www.uochb.cz/en/news/664/... ⤵️ #EMBO #ERC #ERCCoG

🗣️ We are looking forward to hosting Prof. Connor W. Coley (Schwarzman College of Computing, @mitofficial.bsky.social, Cambridge, MA, USA) with an invited lecture "Artificial Intelligence for Synthetic Organic and Analytical Chemistry": Learn more at ► www.uochb.cz/en/event-cal... ⤵