24–25 Nov 2026
Europe/Berlin timezone

Jupyter4Chem - Chemistry Data at your Fingertips

24 Nov 2026, 14:42
18m
Otto-Braun-Saal (Stabi Berlin, Potsdamer Straße)

Otto-Braun-Saal

Stabi Berlin, Potsdamer Straße

Speaker

Steffen Neumann (Leibniz Institute of Plant Biochemistry)

Description

The NFDI4Chem consortium participated in the Jupyter4NFDI incubator process and successfully implemented several Jupyter notebooks to demonstrate how researchers can interact with chemistry data repositories and services from NFDI4Chem through the Jupyter4NFDI infrastructure. The notebooks showcase workflows for data retrieval, conversion, computational analysis, visualisation, and metadata querying by using APIs across different services such as MassBank, the NFDI4Chem Converter Service or RADAR4Chem. In addition, these Jupyter4Chem notebooks will be used as training material for upcoming workshops.

background NFDI4Chem

Authors

Michael Wenk (Leibniz Institute of Plant Biochemistry Halle) Steffen Neumann (Leibniz Institute of Plant Biochemistry)

Co-authors

Bhavin Katabathuni (Leibniz Information Centre for Science and Technology Hannover) Felix Bach (FIZ Karlsruhe) Jan Schweikert (FIZ Karlsruhe) Lincoln Sherpa (Dresden University of Technology) Nicole Jung (Karlsruhe Institute of Technology) Nisha Sharma (Friedrich Schiller University Jena) René Meier (Leibniz Institute of Plant Biochemistry Halle) Shashank Harivyasi (Karlsruhe Institute of Technology) Stefan Kuhn (Tartu University) Venkata Chandra Sekhar Nainala (Friedrich Schiller University Jena)

Presentation materials