Our collaborative working groups are driving the project forward. Each group is dedicated to a specific aspect of MDDB’s mission, bringing together experts to harmonise efforts and achieve common goals. Explore the focus areas of our working groups below:

1. Data quality and quality control analysis

Develop methods for reliable data transfer and file verification, implementing quality control checks for metadata and trajectories, and establishing validation pipelines with both minimum and extended quality requirements.

2. Data integration

Integrate biologically relevant molecular dynamics simulation data into the broader life sciences digital ecosystem and help in the design of the practical interoperability between MD simulation data and existing biological data repositories and analysis platforms.

3. Metadata file in MD engines

Include essential metadata to facilitate annotation from specific resources.

4. Trajectory file formats

Develop efficient single-frame writing performance with support for random frame access and a simple molecular system description for visualization and analysis.

5. Technical installation

Define architecture, core services, database models, API endpoint, and adapt tools for the MDDB reference implementation. Set up cross-node services, define technical requirements and test automated deployment.

6. Dissemination, training, visibility

Identify target groups, develop a comprehensive dissemination strategy, communicate project findings, explore collaboration opportunities, establish metrics for measuring dissemination effectiveness, document all activities, and organize training events.

7. Policies and sustainability

Develop data management policies, define sustainability goals, and integrate these principles into project planning and decision-making; engage stakeholders to gather input and build consensus on sustainability strategies.

Currently, our working groups consist of internal MDDB members. If you’re interested in joining our dynamic team, please share your contact information below. We’ll contact you when an opportunity arises to become part of one of our working groups.