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.

If you have a training dataset that you would like to contribute to the ColabFit Dataset Exchange (launched soon), please provide the following information and a ColabFit team member will contact you:


University, company, lab, etc.

See colabfit-tools documentation here.