3 datasets found

This repository contains the data for our paper on "Apax: A Flexible and Performant Framework For The Development of Machine-Learned Interatomic Potentials". This includes both...

Data for reproducibility of the numerical simulations of the research paper: Grassmann Extrapolation for Accelerating Geometry Optimization More information can be found in the...

Data for reproducibility of the numerical simulations of the research paper: Grassmann Extrapolation for Accelerating Geometry Optimization More information can be found in the...