enFoldX gains accuracy as AF3 ensemble disagreement rises for non-binders

quaidmorris · x · 2026-07-22

enFoldX uses ensemble disagreement as a signal

The post says enFoldX summarizes an AlphaFold3 ensemble instead of trusting one prediction. Non-cognate pairs show larger structural disagreement — higher RMSD and higher iPAE — and performance improves as more ensemble members are added.

That behavior differs from single-structure models, which do not benefit as much from additional samples.

Related event: enFoldX: Turning AlphaFold3 Structural Noise into TCR Recognition Predictions(11 posts)→

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