The Future of
Molecular Dynamics
Data Science.

A unified, FAIR-compliant repository for biosimulation data - empowering researchers across biochemistry, pharmacology, and personalized medicine.

About MDDB America

At MDDB America, we are developing a unified resource to organize and support molecular dynamics data from American research efforts - building on the initial European nodes that established the infrastructure.

By improving access to these data, we aim to support reproducibility, secondary analysis, and scientific discovery in biochemistry, pharmacology, and personalized medicine.

Our project addresses the need for an integrated platform that enables researchers to store, access, and build upon molecular dynamics data within the U.S. scientific community. We compile and organise all data generated by molecular dynamics simulations, making them accessible to drive new research.

Explore the Nodes
  • 3MDDB Nodes
  • 1Partner Institution
  • 1Publication
  • 2Events & Webinars

Partnering with America's leading research institutions

University of Florida

Our Vision | FAIR Data

A Single Database for Molecular Dynamics Simulations

Building on FAIR data principles for all MD simulation data.

  1. Findable

    Persistent identifiers and rich metadata enable full discoverability of all simulation datasets.

  2. Accessible

    Data retrievable via standardized, open, universally implementable protocols and APIs.

  3. Interoperable

    Formal shared vocabularies supporting integration with the broader life sciences data ecosystem.

  4. Reusable

    Rich provenance and clear licensing enabling long-term reuse and reproducibility.

Access Our Nodes | Network

Explore MDDB Nodes

  1. Barcelona, Spain

    Access the central MDDB repository for comprehensive molecular dynamics data and resources.

    Explore the Main Node
  2. Gainesville, Florida

    Discover the Florida Node, supporting advanced molecular dynamics simulations and data management within the U.S.

    Explore the Florida Node
  3. Japan

    Discover the Japan Node, supporting advanced molecular dynamics simulations and data management within Japan.

    Explore the Japan Node

Get Involved

For the Community,
By the Community

We recognise the need for a collaborative effort to create, establish, and sustain a database that allows findability, accessibility, interoperability, and reusability of molecular dynamics simulation data.

Funded by

2025 Research Equipment Seed Fund