Table · dataset · 2022
graphs-datasets/alchemy
Listed in Hugging Face Datasets
Dataset Card for alchemy Dataset
Description
Summary
The alchemy dataset is a molecular dataset, called Alchemy, which lists 12 quantum mechanical properties of 130,000+ organic molecules comprising up to 12 heavy atoms (C, N, O, S, F and Cl), sampled from the GDBMedChem database. Supported Tasks and Leaderboards alchemy should be used for organic quantum molecular property prediction, a regression task on 12 properties. The score used is MAE.
Read the rest (1 more)
External Use… See the full description on the dataset page: huggingface.co/datasets/graphs-datasets/alchemy.
Links
Where it is published
- Hugging Face dataset page huggingface.co/datasets/graphs-datasets/alchemy ↗
landing page · from Hugging Face
Documentation and papers
- arXiv:2007.08663 arxiv.org/abs/2007.08663 ↗
publication · from Hugging Face
- arXiv:1906.09427 arxiv.org/abs/1906.09427 ↗
publication · from Hugging Face
Catalogue records · 1
- Hub API huggingface.co/api/datasets/graphs-datasets/alchemy ↗
metadata API · from Hugging Face
Topics
- Stated by source
- graph ml
- From keywords
- Computer Science & AI
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Hugging Face Datasets | graphs-datasets/alchemy | 15 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 |
| 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 |