Computational Chemistry Data Repositories

DABAR (Digital Academic Archives and Repositories) is Croatian national repository infrastructure used by 170+ institutions for 184 institutional and thematic repositories. Repositories in DABAR are catch-all repositories containing publications, data, DMPs, learning objects, audiovisual content, etc.
Computational chemistry users heavily rely on advanced computing infrastructure – HPC and cloud resources for conducting their research. The resulting datasets are currently manually uploaded to institutional repositories hosted on the DABAR infrastructure.

• Enable users to both easily find, fetch, analyse, and re-use data;
• Motivate users to describe properly and easily (technically) share their data in institutional repositories.

Provide users with tools to easily publish their scientific datasets, at the same time providing metadata via OAI-PMH interface. We are planning to perform a FAIRness assessment of computational chemistry dataset sample and raise awareness of FAIR principles and its implementation among the community.
Data will be findable via the EOSC Matchmaker, and we plan to pair data from repositories with tools and utilise the EOSC Data Player service to execute Packages for Processing Datasets.