ColabFit: Informatics for Advanced Materials and Chemistry

The ColabFit project aims to create a framework to facilitate the training and use of machine learning (ML) models in materials science including interatomic potentials. This includes an online exchange for datasets used to train ML models and a portable format for deploying ML models to simulation platforms using the OpenKIM system.

See colabfit-tools documentation here.



Datasets
27
Configuration Sets
297

Property Instances
632,539
Configurations
160,878