Data · dataset · 2020
GEOM Dataset
Listed in DataCite
GEOM is a dataset with over 30 million molecular conformations annotated by energy and statistical weight for over 430,000 molecules.
Description
Approximately 130,000 molecules are from the QM9 dataset, while 300,000 are drug-like molecules with experimental binding data for various targets.
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/GEOM_Dataset/13303019 ↗
landing page · from DataCite
- Repository landing page figshare.com/articles/dataset/GEOM_Dataset/13303019/2 ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.13303019 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.13303019.v2 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.13303019.v2 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.13303019 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.13303019.v2 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.13303019 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Basic medicine · Basic medicine · Chemical sciences · Chemical sciences
- Inferred from text
- Cheminformatics and quantitative structure-activity relationships 77%
Related
- Inverse of has versionGEOM Dataset
Provenance · 2 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.13303019 | 13 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.13303019.v2 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].anzsrc:field:340404 | enrichment · DataCite | taxonomy-embedding@1.1.0 | title+keywords+description (77%) |
| concepts[field].fos:basic-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:basic-medicine | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:chemical-sciences | source · DataCite | connector:datacite@1.0.0 | |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |