As covered in more detail on the About page, the BioSimDB repository, part of PSDI Community Data Collections, is a centralised data facility for the purpose of storing biomolecular simulation data. This currently includes simulation using molecular dynamics software packages. The repository will accept submissions with minimal metadata description and a trajectory alongside more advanced metadata descriptions that are output by our data capture tools, which include setup provenance data as well as molecular dynamics output trajectories for fully reproducible simulations. BioSimDB belongs to the biomolecular simulation community and is operated on their behalf by the partner organisations within PSDI. BioSimDB operates a community led review process that will screen data submissions for remit and quality of contributions. Membership and therefore submissions will be from UK based researchers that fit within the CCPBioSim and HECBioSim remit areas, performing molecular simulations on biological systems. This will be checked by community appointed reviewers upon review of contributions.

Deposit:

• Depositors are expected to comply with the PSDI Community Data Collections Policy.
• Depositories are required to accept and comply with the BioSimDB deposit conditions.
• Any file format is accepted
• Multiple files can be zipped before deposit
• Acceptance into the community is determined by the BioSimDB Community Administrators
• Descriptive metadata to accepted standards for discovery and description, must be assigned to each dataset.
• A Creative Commons CC0 licence is the default licence for deposits, however depositors are expected to pay careful consideration to this and must always ensure that an appropriate licence is selected.
• There is an option to set an embargo period for datasets.
• There are no charges to individual researchers for deposit or storage of datasets.
• Before publication in BioSimDB, datasets and metadata will be reviewed for accuracy by BioSimDB appointed reviewers. The deposit will also be inspected to ensure it is within the scientific scope of biomolecular simulation as outlined above.
• Datasets should be no larger than 100GB.

All items in this policy are subject to review as the service matures and may therefore change. Users should check here for updates and the latest version

BioSimDB Data Curation Policy version 1.0 March 2025