fairchem by FAIR Chemistry

fairchem is the FAIR Chemistry’s centralized repository of all its data, models, demos, and application efforts for materials science and quantum chemistry.

:warning: FAIRChem version 2 is a breaking change from version 1 and is not compatible with our previous pretrained models and code. If you want to use an older model or code from version 1 you will need to install version 1, as detailed here.

:warning: Some of the docs and new features in FAIRChem version 2 are still being updated so you may see some changes over the next few weeks. Check back here for the latest instructions. Thank you for your patience!

Read our latest release post!

Read about the UMA model and OMol25 dataset release.

Try the demo!

If you want to explore model capabilities check out our educational demo

Need to install fairchem-core or get UMA access or getting permissions/401 errors?

1. Install the necessary packages using pip, uv etc

2. Get access to any necessary huggingface gated models

   • Get and login to your Huggingface account

   • Request access to https://huggingface.co/facebook/UMA

   • Create a Huggingface token at https://huggingface.co/settings/tokens/ with the permission “Permissions: Read access to contents of all public gated repos you can access”

   • Add the token as an environment variable using huggingface-cli login or by setting the HF_TOKEN environment variable.