fairchem

npx skills add majiayu000/claude-skill-registry --skill fairchem --agent claude-code

Same command for any agent — swap --agent for codex, cursor, copilot.

# FAIRChem Skill This skill provides expert guidance for using FAIRChem (formerly OCP - Open Catalyst Project), Meta's FAIR Chemistry library of machine learning methods for materials science and quantum chemistry. ## When to Use This Skill Use this skill when: - Using ML potentials for materials and molecular simulations - Running fast geometry optimizations with pretrained models - Performing large-scale MD simulations - Calculating energies and forces without DFT - Working with the UMA (Universal Materials Algebra) models - Needing predictions for catalysis, molecules, crystals, or MOFs - Integrating ML models with ASE workflows - Scaling calculations across multiple GPUs ## What is FAIRChem? FAIRChem is Meta's machine learning framework for chemistry that provides: - **Pretrained UMA models** (`uma-s-1p1`, `uma-m-1p1`) for universal predictions - **Domain-specific tasks**: catalysis (oc20), materials (omat), molecules (omol), MOFs (odac), crystals (omc) - **ASE integration** via `FAIRChemCalculator` - **Multi-GPU support** for distributed inference - **Fast predictions**: 100-1000× faster than DFT ### Key Advantage FAIRChem allows you to use the same model across different chem

Install fairchem
pip install fairchem-core
For GPU support
pip install fairchem-core[gpu]
Hugging Face login (required for UMA models)
pip install huggingface-hub
huggingface-cli login
Login to Hugging Face
Request access to UMA models at: