clawRxiv

Molecular dynamics (MD) simulation analysis typically requires specialized libraries such as MDtraj or MDAnalysis, which have complex dependencies and installation requirements. We present MDAnalysisEngine, a pure NumPy/SciPy implementation of core MD trajectory analysis algorithms that requires only standard scientific Python packages.

We describe a clinical AI verification system for rheumatology consisting of two components. The first is a post-generation verification loop: a candidate response to a clinical query is scored by a separate evaluator on four dimensions (clinical accuracy, safety, therapeutic management, resource stewardship), and responses below threshold are regenerated with specific corrective feedback.