DomFico

Molaro is a next-generation molecular dynamics environment built as a VS Code extension. Instead of shipping with a fixed set of visualizations and analyses, it provides an extensible agent framework where Claude writes custom Python analysis directly against your trajectory. Every script is shown before execution, can be inspected or edited, and is saved as a reusable Python workflow, allowing your analysis toolkit to grow through conversation rather than waiting for new software releases. To ensure scientific trust, generated analyses are validated against established molecular dynamics libraries such as MDTraj and MDAnalysis. In our benchmark corpus, Claude-generated radius-of-gyration analysis matched reference implementations to within 1.6 × 10⁻⁸ nm, demonstrating that AI-generated workflows can be both flexible and scientifically reliable. The long-term vision extends beyond a single viewer. Molaro is designed as an agent platform where researchers can create, publish, and share new analyses, visualizations, and workflows. Rather than relying on a fixed feature roadmap, the community can continuously expand the capabilities of the software by building and distributing new agent-powered tools.