GROMACS MetaDump

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This publication doesn't include Institute of Computer Science. It includes Central European Institute of Technology. Official publication website can be found on muni.cz.

Authors	ROŠINEC Adrián SLANINÁKOVÁ Terézia PAVLÍK Tomáš RANDIAK Róbert SVOBODA Tomáš RAČEK Tomáš BUČEKOVÁ Gabriela SCHINDLER Ondřej ANTOL Matej KŘENEK Aleš BERKA Karel SVOBODOVÁ Radka
Year of publication	2025
Type	Software
MU Faculty or unit	Central European Institute of Technology
web	GitHub GROMACS MetaDump - homepage
Description	Gromacs MetaDump is a tool for automatically creating FAIR metadata for biomolecular simulation datasets generated by GROMACS. It enables information extraction from TPR files, as well as validation, editing, and export of metadata in JSON or YAML format. The tool is freely available without registration through a web interface (https://gmd.ceitec.cz/), an API, or a Python script running in a Docker container.
Related projects:	Czech National Infrastructure for Biological Data