The MDDB (Molecular Dynamics Data Bank) project is an initiative to collect, preserve, and share molecular dynamics (MD) simulation data. As part of this project, MDposit is an open platform that provides web access to atomistic MD simulations. Its goal is to facilitate and promote data sharing within the global scientific community to advance research.
The MDDB infrastructure is distributed across two MDposit nodes. Both nodes expose the same REST API entry points. The only difference is the base URL used to access the API.
- web site: https://mmb-dev.mddbr.eu/#/browse
- documentation: https://mmb.mddbr.eu/#/help
- API: https://mmb.mddbr.eu/api/rest/docs/
- API base URL: https://mmb.mddbr.eu/api/rest/v1
- web site: https://dynarepo.inria.fr/#/browse
- documentation: https://dynarepo.inria.fr/#/help
- API: https://dynarepo.inria.fr/api/rest/docs/
- API base URL: https://inria.mddbr.eu/api/rest/v1
No account / token is needed to access the MDposit API.
In MDposit, a dataset (a simulation and its related files) is called an "project" and a project can contains multiple replicas, each identified by project_id.replica_id.
For exemple, the project A026F contains four replicas:
A026F.1: https://mmb.mddbr.eu/#/id/A026F.1/overviewA026F.2: https://mmb.mddbr.eu/#/id/A026F.2/overviewA026F.3: https://mmb.mddbr.eu/#/id/A026F.3/overviewA026F.4: https://mmb.mddbr.eu/#/id/A026F.4/overview
API entrypoint to search for all datasets at once:
- Endpoint:
/projects - HTTP method: GET
- documentation
API endpoint to get files for a given replica of a project:
- Endpoint:
/projects/{project_id.replica_id}/filenotes - HTTP method: GET
- documentation
- Project id:
A026F.1 - project on MDposit GUI
- project on MDposit API
Description:
Multi-scale simulation approaches which couple the molecular and neuronal simulations to predict the variation in the membrane potential and the neural spikes.
- Project id:
A025U.1 - project on MDposit GUI
- project on MDposit API
Remark: no description is provided for this dataset.