Learn core chemistry AI concepts, tool selection, deployment, and evaluation. Looking for concrete tool combinations and setup steps? Explore Recipes.
Understand chemistry AI Skills as reusable procedure modules: what SKILL.md contains, how hosts load instructions, how Skills differ from MCP and agents, and how to select, combine, and evaluate them without confusing guidance with scientific validation.
Compare ten chemistry and materials AI Skills by scientific role, dependencies, inputs, outputs and licence scope, then plan bounded evaluations for molecular analysis, NMR processing, phonons, equilibrium and reactive-MD post-processing.
A practical review process for chemistry agent Skills: inspect instructions and dependencies, bound tool access, preserve scientific provenance, and plan a small evaluation before authorising broader use.