fairchem by FAIR Chemistry

tests PyPI - Version Static Badge DOI

Open in GitHub Codespaces

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.

Meta FAIR Science Release

Try the demo!#

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

Educational Demo

Installation#

Although not required, we highly recommend installing using a package manager and virtualenv such as uv, it is much faster and better at resolving dependencies than standalone pip.

Install fairchem-core using pip

pip install fairchem-core
Contents