Scholars Criticize Flawed Evaluation of Generative Molecular Dynamics

A NeurIPS 2026 position paper by Simon Olsson, Frank Noé and colleagues criticizes flawed evaluation practices in generative molecular dynamics, arguing that hidden computational costs often exaggerate reported speedups. The authors propose a tiered checklist calling for full transparency about data, training, and inference costs.

2026-10-28 ~ 2026-10-28 · 2 related posts

• Position Paper: Generative Molecular Dynamics Evaluations Let Models Claim Arbitrary Wins — rishabh16_ · 2026-10-28
• Position paper sparks debate: hidden compute costs may inflate ML speedup claims for molecular dynamics — rishabh16_ · 2026-10-28