Inference-Time Projection for Physically Valid Biomolecular Diffusion Models

arXiv:2610.07037v1 Announce Type: new Abstract: AlphaFold 3-style cofolding models predict biomolecular complexes with high structural accuracy, yet a large fraction of their outputs are physically invalid: chains overlap at interfaces, ligand bond lengths and angles are distorted, rings are non-planar, and stereocentres are inverted. Current approaches either steer the sampler with physics-informed potentials, which multiplies sampling cost and memory overhead making inference impossible on large complexes, or finetune the model, costing time and tying the fix to one architecture. We observe

This content is for informational purposes only and is not professional advice. Specifications, prices, plan tiers, and features change frequently and may differ from what is shown here; verify current details on the manufacturer's or company's official page before purchasing. Ratings are based on analysis of published documentation, not independent lab testing.