Welcome to the News Digest – RDM in Natural Science. Each week, I explore the latest developments in research data management, focusing specifically on natural sciences, and provide a concise overview. So let us dive right in.

NFDI4Earth

Data management for marine research

Ever wondered how institutes like the Leibniz Institute for Baltic Sea Research Warnemünde (IOW) are handling their data? Then check out a recently published poster, which provides an overview and access points to dive deeper into the topic.

Link to poster in Zenodo with DOI: 10.5281/zenodo.17941146

MaRDI

Ontology and knowledge graph for mathematical models – MathModDB

The main topic of the latest MaRDI newsletter (issue 15) is the MathModDB an ontology and knowledge graph for mathematical models with over 1700 terms. In the newsletter, you can find five short stories that help you to understand how to use MathModDB in practice. Besides learning about MathModDB I think it can be useful to check these stories out, maybe you can use similar descriptions for your workshops or courses when introducing ontologies in general. In addition to the short stories, there is a video-interview with Aurela Shehu about MatModDB with a short introduction and demonstration, definitely worth a look (see below). Check out MathModDB now and share the news with your researchers from the field of mathematics. MaRDI is looking for feedback.

Check out the full newsletter for more information, e.g. the RDMO instance of MaRDI, which is now available:

Link to the MaRDI newsletter on their webpage

NFDI4Chem

Better RDM applied: the euroSAMPL blind prediction challenge

Have you heard of the euroSAMPL1 blind prediction challenge? No, then maybe this is your chance to check it out. In this challenge series, researcher try to predict pKa values with a focus on reproducibility and FAIR criteria. A great examples of better research data handling in practice, read more about it on the webpage of NFDI4Chem.

Link to article on the NFDI4Chem webpage

News from the NFDI4Chem repositories

NFDI4Chem is providing some updates for their repositories RADAR4Chem, Chemotion Repository and nmrXiv, as well as the mass spectrometry collection MassBank. So what’s new? RADAR4Chem is now connected with the terminology service of TS4NFDI, therefore metadata can now be edited with the help of standardised vocabularies. Check out the article for more updates and information. (When accessing the article, you need to scroll down a little bit to get to the updates about the repositories.)

Link to article on the NFDI4Chem webpage

PSDI

The PSDI terminology – recording available

Last week I mentioned that slides from a presentation about the PSDI terminology was uploaded in Zenodo. Now the recording of the talk is available at the YouTube-Channel of PSDI.

Link to article at the PSDI webpage

Database for NMR crystallography

The recording (and slides) of another PSDI seminar are now available. This time it is on the topic of “FAIR materials database for NMR crystallography”. It is a very interesting talk and learn more about the development and use of NOMAD Oasis by FAIRmat.

Link to article on the PSDI webpage

PUNCH4NFDI

A LLM-enhanced RDM toolkit

PUNCH4NFDI is supporting the Physics-LLM project, which has the goal to develop a LLM-enhanced RDM toolkit. Sounds promising, and I am looking forward to get more updates in the future. What do you think about a LLM-enhanced RDM toolkit?

Link to article on the PUNCH4NFDI webpage

Electronic Lab Notebooks

Chemotion ELN

If you are working with Chemotion ELN or you are the admin for a Chemotion ELN instance, then you should check out the information about new versions of the software in the latest article by NFDI4Chem. There are changes to the UI/UX as well as new features like chemical mixtures, handling proteins and much more. Very important: From version v3.0.0 on the chemical editor, ketcher-rails will be replaced by Ketcher. Check out the full report at nfdi4chem.de.

Link to the article on the NFDI4Chem webpage

Outro

That’s it for today. Thanks for reading, and see you next week.
Benjamin

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