# PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

> Research article (Journal of Chemical Theory and Computation, 2019) · cited 77× · AI/ML

**Wikidata**: [openalex:W2951845929](https://www.wikidata.org/wiki/openalex:W2951845929)  
**Source**: https://4ort.xyz/entity/pes-learn-an-open-source-software-package-for-the-automated-generation-of-machine-learning-models-of-molecular-potential