Data · dataset · 2026
Automated clustering workflow for molecular simulation data and ubiquitin simulation datset
Listed in RADAR and RADAR4Memory — shown once because both records carry DOI 10.48606/1m5vegw5amn1rrz8
This dataset contains a Jupyter Notebook for the Automated Clustering Workflow (ACW), a clustering workflow for molecular simulation data that combines the dimensionality reduction algorithms cc_analysis and EncoderMap with the clustering algorithm HDBSCAN and a root mean square deviation-based sorting criterion.
Description
The ACW was applied on molecular dynamics simulation data of the protein ubiquitin, which is also included in this dataset.
Links
Where it is published
- DOI doi.org/10.48606/1m5vegw5amn1rrz8 ↗
DOI / persistent id · from radar service eu de
Catalogue records · 1
- OAI-PMH record radar-service.eu/oai/OAIHandler?verb=GetRecord&metadataPrefix=oai_dc&identifier… ↗
metadata API · from radar service eu de
Topics
- From keywords
- Chemistry · Chemistry · Earth & Environmental Science · Earth & Environmental Science · Life Sciences · Life Sciences
- Inferred from text
- Simulation 75% · Structural biology 76%
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| RADAR | 10.48606/1m5vegw5amn1rrz8 | 11 d ago | JSON v1 |
| RADAR4Memory | 10.48606/1m5vegw5amn1rrz8 | 11 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].anzsrc:field:310112 | enrichment · radar service eu de | taxonomy-embedding@1.1.0 | title+keywords+description (76%) |
| concepts[field].local:field:chemistry | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · radar4memory radar service eu | connector:radar4memory_radar_service_eu@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| concepts[method].local:method:simulation | enrichment · radar service eu de | keyword-concept-rules@1.0.0 | title+description (75%) |
| description | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/description |
| license | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/rights |
| publication_date | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | |
| title | source · radar service eu de | connector:radar_service_eu_de@1.0.0 | /metadata/dc/title |