Great news! Tomáš Pluskal from IOCB Prague Czech Academy of Sciences has received an ERC Consolidator Grant #ERCCoG from European Research Council (ERC) for his TerpenCode project, addressing challenges in enzyme development with innovative machine learning applications in biochemistry. Congratulations!

What are the most interesting datasets and benchmark-related work for ML in drug discovery at NeurIPS? We’ll be doing short interviews with researchers at the conference and workshops and handing out some Polaris merch! Here’s who we have on the shortlist. Let us know what

Met the twins ⁦Anton Bushuiev⁩ ⁦Roman Bushuiev⁩

MassSpecGym is the largest publicly available collection of mass spectra data. It’s a standardized collection of 231K high-quality mass spectra representing 29K unique molecular structures, with 33% of the dataset being generated from newly measured, in-house data. 🛡️The dataset

🤝 In April 2024, brothers Roman and Anton Bushuiev from the teams of Tomáš Pluskal IOCB Prague and Josef Šivic CIIRC ČVUT initiated a collaboration among 14 research institutes across the globe to benchmark #AI methods for the discovery of molecules from mass spectrometry data.

This paper represents a great effort by Roman Bushuiev and his brother Anton Bushuiev. The DreaMS foundation ML 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.

Nature is full of chemicals that have yet to be discovered. 🔬 Researchers from IOCB Prague and CIIRC ČVUT have developed a machine learning model called DreaMS, which significantly accelerates the analysis of previously unknown molecules. 🧬 Describing them could pave the way

Yesterday Roman Bushuiev from Tomáš Pluskal's lab visited our lab. He gave a seminar talk about his recent work on DreaMS (nature.com/articles/s4158…), and provided a hands-on training to my lab members. Looking forward to what we will discover using this awesome tool!