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The Future of
Molecular Dynamics
Data Science

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

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Partnering with America's leading research institutions

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Building the Unified American MD Data Resource

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, the project provides a structured framework for MD data collection and management.

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.

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A Single Database for
Molecular Dynamics Simulations

Building on FAIR data principles for all MD simulation data.

F

Findable

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

A

Accessible

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

I

Interoperable

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

R

Reusable

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

Your Gateway to Comprehensive MD Data

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About

We compile and organise all data generated by molecular dynamics simulations, making them accessible to drive new research.

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Goals

Establish a platform adhering to Findable, Accessible, Interoperable, and Reusable principles for molecular simulation data.

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Community

A collaborative effort to create, establish, and sustain a database that allows findability, accessibility, interoperability, and reusability.

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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.

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