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?