hugging-science/orbmol

This repo houses the orb-v3 models demo. The repo is heavily inspired by the FAIR Chemistry UMA project (https://huggingface.co/spaces/facebook/fairchemumademo ).

1. 1.Try examples to see how orb-v3 works across molecules and materials

1. 1.Explore how orb-v3 tasks can be applied to different structures

1. 1.Try the orb-v3 models with your own structures!

This repo hosts 3 different Orb-v3 models:

• —Orbmol-conservative
• —Orbmol-direct
• —OMat-conservative

These are only a subset of all the available Orb models, if you want to try more of them go to https://github.com/orbital-materials/orb-models.

If you want to know more about the models go to https://orbitalmaterials.com or read the paper at https://arxiv.org/abs/2504.06231.