Data · dataset · 2026
divelab/OrbEvo
Listed in Hugging Face Datasets
Description
OrbEvo Paper: arxiv.org/abs/2603.03511 Currently in this dataset: 5,000 QM9 TDDFT trajectories generated using the ABACUS simulation code (arxiv.org/abs/2501.08697). Folders: - QM9_tddft/ <--- the data used for training and evaluation - processed/ - raw/ - MDA_tddft/ - MDA_train <--- the data used for training and validation - processed/ - raw/ - MDA_test <--- the data used for test - processed/ - raw/ - before_down_sampling/ <--- the… See the full description on the dataset page: huggingface.co/datasets/divelab/OrbEvo.
Links
Where it is published
- Hugging Face dataset page huggingface.co/datasets/divelab/OrbEvo ↗
landing page · from Hugging Face
Documentation and papers
- arXiv:2603.03511 arxiv.org/abs/2603.03511 ↗
publication · from Hugging Face
- arXiv:2501.08697 arxiv.org/abs/2501.08697 ↗
publication · from Hugging Face
Catalogue records · 1
- Hub API huggingface.co/api/datasets/divelab/OrbEvo ↗
metadata API · from Hugging Face
Topics
- From keywords
- Computer Science & AI
- Inferred from text
- Simulation 75%
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Hugging Face Datasets | divelab/OrbEvo | 14 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[method].local:method:simulation | enrichment · Hugging Face | keyword-concept-rules@1.0.0 | title+description (75%) |
| 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 |