Table · dataset · 2022
graphs-datasets/ZINC
Listed in Hugging Face Datasets
Dataset Card for ZINC Dataset
Description
Summary
The ZINC dataset is a "curated collection of commercially available chemical compounds prepared especially for virtual screening" (Wikipedia). Supported Tasks and Leaderboards ZINC should be used for molecular property prediction (aiming to predict the constrained solubility of the molecules), a graph regression task. The score used is the MAE.
Read the rest (1 more)
The associated leaderboard is here: Papers with code leaderboard.… See the full description on the dataset page: huggingface.co/datasets/graphs-datasets/ZINC.
Links
Where it is published
- Hugging Face dataset page huggingface.co/datasets/graphs-datasets/ZINC ↗
landing page · from Hugging Face
Catalogue records · 1
- Hub API huggingface.co/api/datasets/graphs-datasets/ZINC ↗
metadata API · from Hugging Face
Topics
- Stated by source
- graph ml
- From keywords
- Computer Science & AI
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Hugging Face Datasets | graphs-datasets/ZINC | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · Hugging Face | connector:huggingface@1.0.0 | /gated |
| concepts[field].local:field:computer-science-ai | mapping · Hugging Face | connector:huggingface@1.0.0 | |
| concepts[task].hf_task:graph-ml | source · Hugging Face | connector:huggingface@1.0.0 | /tags[task_categories:*] |
| created_date | source · Hugging Face | connector:huggingface@1.0.0 | |
| description | source · Hugging Face | connector:huggingface@1.0.0 | /description |
| license_text | source · Hugging Face | connector:huggingface@1.0.0 | |
| publication_date | source · Hugging Face | connector:huggingface@1.0.0 | |
| title | source · Hugging Face | connector:huggingface@1.0.0 | /id |
| updated_date | source · Hugging Face | connector:huggingface@1.0.0 |