Table · dataset · 2026
Matbench Discovery - Model Predictions for Molecular Dynamics
Listed in figshare
Description
This dataset contains model predictions from various models evaluated on the Matbench Discovery benchmark for the molecular dynamics task. Task description: Reproducing structural, thermodynamic and vibrational observables of ab-initio molecular dynamics trajectories For more information about the benchmark and models, visit: github.com/janosh/matbench-discovery.
Links
Where it is published
- DOI doi.org/10.6084/m9.figshare.32815880.v6 ↗
DOI / persistent id · from figshare com
Catalogue records · 1
- OAI-PMH record api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai%3Af… ↗
metadata API · from figshare com
Topics
- From keywords
- Astronomy & Astrophysics · Cheminformatics and quantitative structure-activity relationships · Chemistry · Computer Science & AI · Earth & Environmental Science · Economics & Finance · Engineering · Humanities · Life Sciences · Machine learning · Materials Science · Medicine & Health · Ocean & Atmospheric Science · Social Science · Structure and dynamics of materials
Provenance · 1 source records, 20 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| figshare | oai:figshare.com:article/32815880 | 7 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].anzsrc:field:340307 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Structure and dynamics of materials'] |
| concepts[field].anzsrc:field:340404 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['Cheminformatics and quantitative structure-activity relationships'] |
| concepts[field].anzsrc:group:4611 | mapping · figshare com | vocabulary-mapper@1.0.0 | keywords['machine learning'] |
| concepts[field].local:field:astronomy | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:chemistry | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:computer-science-ai | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:earth-environmental | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:economics-finance | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:engineering | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:humanities | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:life-sciences | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:materials-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:medicine-health | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:ocean-atmospheric | mapping · figshare com | connector:figshare_com@1.0.0 | |
| concepts[field].local:field:social-science | mapping · figshare com | connector:figshare_com@1.0.0 | |
| description | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/description |
| license | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/rights |
| publication_date | source · figshare com | connector:figshare_com@1.0.0 | |
| title | source · figshare com | connector:figshare_com@1.0.0 | /metadata/dc/title |