# ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules

> Research article (Scientific Data, 2017) · cited 332× · AI/ML

**Wikidata**: [openalex:W2800168263](https://www.wikidata.org/wiki/openalex:W2800168263)  
**Source**: https://4ort.xyz/entity/ani-1-a-data-set-of-20-million-calculated-off-equilibrium-conformations-for-organic-molecules