MD Evidence
Extract governed descriptive evidence from compatible molecular-dynamics trajectories.
Controlled evidence function. Confirmed public-alpha paths: PSF+DCD, PDB+DCD, GRO+XTC. Access key required.
Problem it solves
MD trajectories are often large, tool-specific, and difficult to summarize consistently. MD Evidence creates an inspectable evidence package: object keys, hashes, frame/atom/residue counts, descriptive RMSD/RMSF/radius-of-gyration summaries, evidence card, and downloadable artifacts.
What you upload
- One topology file.
- One trajectory file.
- One metadata JSON or CSV file.
- Confirmed formats: PSF+DCD, PDB+DCD, GRO+XTC.
| Step | Researcher action | Platform output |
|---|---|---|
| 1 | Request access key | Controlled upload access is enabled for pilot users. |
| 2 | Upload files | Browser uploads are verified through protected evidence storage. |
| 3 | Verify objects | The platform confirms uploaded objects exist in storage. |
| 4 | Create evidence job | The worker downloads, hashes, parses, and computes descriptive metrics. |
| 5 | Review artifacts | Inspect result page and download JSON, CSV, card, manifest, and checksums. |
Current pilot scope
- Small-to-medium compatible trajectories first.
- Confirmed paths: PSF+DCD, PDB+DCD, GRO+XTC.
- Larger files and multipart upload support are next-stage infrastructure work.
- Metrics are descriptive evidence summaries for review workflows.