fairchem
One pip install for five generations of FAIR chemistry
Latest: fairchem v2.x (2025-2026), serving UMA-1.2 models
FAIR Chemistry's consolidated open-source library — the successor to the ocp codebase — unifying data, training and inference for Open Catalyst, OpenDAC, OMat24, OMol25 and UMA. Provides an ASE calculator interface so any computational chemist can drop UMA into existing workflows, plus LAMMPS and multi-GPU support for production molecular dynamics.
Why it matters
The single library behind Open Catalyst, OpenDAC, OMat24, OMol25 and UMA: a pip install and an ASE calculator interface let any computational chemist drop Meta's models into existing workflows, with LAMMPS and multi-GPU support for production molecular dynamics. It is how FAIR Chemistry's datasets become tools people run.
Facts
- One pip install now covers five generations of FAIR chemistry datasets and models — the connective tissue of Meta's AI-for-science program.
Try it yourself
pip install fairchem-core ↗ Quickstart (UMA with ASE) ↗ Code on GitHub ↗
Lineage
Sources
GitHub · fairchem ↗fair-chem.github.io ↗