Examples

Choose the example that matches the data you already have.

• Acetate workflow: run the complete staged BFF workflow from system construction through validation. Requires MD software.
• Arbitrary-data notebook: start from sampled parameters, simulated observables, and reference targets in tables. No MD software is required.
• Neon Mie notebook: inspect real RDF inference with a parameter-dependent surrogate mean. No MD software is required.

The notebook examples write generated datasets, surrogate models, posterior samples, logs, and plots under their local generated/ directories.